(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide

C14H26N4O3 — CID 22797057

IUPAC(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCC(C)C[C@@H](C(=O)NCC(N)=O)N(C)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C14H26N4O3/c1-9(2)7-11(13(20)17-8-12(15)19)18(3)14(21)10-5-4-6-16-10/h9-11,16H,4-8H2,1-3H3,(H2,15,19)(H,17,20)/t10-,11-/m0/s1
InChIKeyBXCQMQVEMFYKJC-QWRGUYRKSA-N
MW298.39 g/mol
LogP-0.79
Rot. Bonds7

About (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide

(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 22797057) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide
PubChem CID22797057
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCC(C)C[C@@H](C(=O)NCC(N)=O)N(C)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C14H26N4O3/c1-9(2)7-11(13(20)17-8-12(15)19)18(3)14(21)10-5-4-6-16-10/h9-11,16H,4-8H2,1-3H3,(H2,15,19)(H,17,20)/t10-,11-/m0/s1
InChIKeyBXCQMQVEMFYKJC-QWRGUYRKSA-N
XLogP-0.79
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-methyl-N-[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 22803642
N-[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide
CID 70567557
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)(15N)amino]-4-methyl-1-oxo(113C)pentan-2-yl]pyrrolidine-2-carboxamide
CID 10266003
(2R)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 51387302
N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 171324514
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide;hydrochloride
CID 91619283
N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
CID 18324145
2-[(2-aminoacetyl)-(pyrrolidine-2-carbonyl)amino]-4-methylpentanoic acid
CID 70411878
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 60962738
(2S)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide
CID 103833218
2-[methyl-[(2R)-piperidine-2-carbonyl]amino]butanoic acid
CID 104913782
methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate
CID 60947765

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide (CID 22797057) is (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide is CC(C)C[C@@H](C(=O)NCC(N)=O)N(C)C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is BXCQMQVEMFYKJC-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-9(2)7-11(13(20)17-8-12(15)19)18(3)14(21)10-5-4-6-16-10/h9-11,16H,4-8H2,1-3H3,(H2,15,19)(H,17,20)/t10-,11-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide?
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of -0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 22797057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).