(2S)-N-[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-methyl-1-oxohexan-2-yl]-6-oxopiperidine-2-carboxamide

C18H30N4O4 — CID 10384280

IUPAC(2S)-N-[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-methyl-1-oxohexan-2-yl]-6-oxopiperidine-2-carboxamide
SMILESCC(C)CC[C@@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C18H30N4O4/c1-11(2)8-9-13(18(26)22-10-4-6-14(22)16(19)24)21-17(25)12-5-3-7-15(23)20-12/h11-14H,3-10H2,1-2H3,(H2,19,24)(H,20,23)(H,21,25)/t12-,13+,14-/m0/s1
InChIKeyQKNVIAUZYDHJIZ-MJBXVCDLSA-N
MW366.46 g/mol
LogP0.05
Rot. Bonds7

About (2S)-N-[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-methyl-1-oxohexan-2-yl]-6-oxopiperidine-2-carboxamide

(2S)-N-[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-methyl-1-oxohexan-2-yl]-6-oxopiperidine-2-carboxamide (PubChem CID 10384280) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is (2S)-N-[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-methyl-1-oxohexan-2-yl]-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-methyl-1-oxohexan-2-yl]-6-oxopiperidine-2-carboxamide
PubChem CID10384280
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC Name(2S)-N-[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-methyl-1-oxohexan-2-yl]-6-oxopiperidine-2-carboxamide
SMILESCC(C)CC[C@@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C18H30N4O4/c1-11(2)8-9-13(18(26)22-10-4-6-14(22)16(19)24)21-17(25)12-5-3-7-15(23)20-12/h11-14H,3-10H2,1-2H3,(H2,19,24)(H,20,23)(H,21,25)/t12-,13+,14-/m0/s1
InChIKeyQKNVIAUZYDHJIZ-MJBXVCDLSA-N
XLogP0.05
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoate
CID 7408204
N-[1-(2-carbamoylpyrrolidin-1-yl)-4-(1,2-dihydroimidazol-3-yl)-1-oxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 69257405
(2S)-1-[(2R)-2-[[(2S)-4-oxoazetidine-2-carbonyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carboxamide
CID 58843276
(2S)-N-[(2S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 13312525
N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxohexan-2-yl]-3-methyl-6-oxopiperidine-2-carboxamide
CID 54241739
(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 6453104
(2S)-N-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 174386227
N-[(2S)-6-amino-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxohexan-2-yl]-3-methyl-6-oxopiperidine-2-carboxamide
CID 70109005
acetic acid;(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 69031038
1-methoxyethyl 4-[(2S)-3-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propyl]imidazole-1-carboxylate
CID 101137541
(2S)-5-amino-2-[[2-[[(2S)-5-amino-2-[[2-[[(2S)-1-[(2S)-5-amino-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-5-oxopentanoic acid
CID 101222117
N-[4-amino-1-[2-[(4-methylphenyl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 59096165

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-methyl-1-oxohexan-2-yl]-6-oxopiperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-methyl-1-oxohexan-2-yl]-6-oxopiperidine-2-carboxamide (CID 10384280) is (2S)-N-[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-methyl-1-oxohexan-2-yl]-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-methyl-1-oxohexan-2-yl]-6-oxopiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-methyl-1-oxohexan-2-yl]-6-oxopiperidine-2-carboxamide is CC(C)CC[C@@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-N-[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-methyl-1-oxohexan-2-yl]-6-oxopiperidine-2-carboxamide?
The InChIKey is QKNVIAUZYDHJIZ-MJBXVCDLSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-11(2)8-9-13(18(26)22-10-4-6-14(22)16(19)24)21-17(25)12-5-3-7-15(23)20-12/h11-14H,3-10H2,1-2H3,(H2,19,24)(H,20,23)(H,21,25)/t12-,13+,14-/m0/s1.
What are the key properties of (2S)-N-[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-methyl-1-oxohexan-2-yl]-6-oxopiperidine-2-carboxamide?
(2S)-N-[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-methyl-1-oxohexan-2-yl]-6-oxopiperidine-2-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-methyl-1-oxohexan-2-yl]-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 10384280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).