1-[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide

C14H26N4O3 — CID 119042843

IUPAC1-[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCCC1C(=O)NC
InChIInChI=1S/C14H26N4O3/c1-4-9(2)12(15)14(21)17-8-11(19)18-7-5-6-10(18)13(20)16-3/h9-10,12H,4-8,15H2,1-3H3,(H,16,20)(H,17,21)/t9-,10?,12-/m0/s1
InChIKeyNZKVDLHGMWADBP-VULFSTHESA-N
MW298.39 g/mol
LogP-0.79
Rot. Bonds6

About 1-[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide

1-[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 119042843) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID119042843
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name1-[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCCC1C(=O)NC
InChIInChI=1S/C14H26N4O3/c1-4-9(2)12(15)14(21)17-8-11(19)18-7-5-6-10(18)13(20)16-3/h9-10,12H,4-8,15H2,1-3H3,(H,16,20)(H,17,21)/t9-,10?,12-/m0/s1
InChIKeyNZKVDLHGMWADBP-VULFSTHESA-N
XLogP-0.79
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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

2-[[1-[2-(2-aminopropanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
CID 18235648
(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
CID 71346691
1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119736640
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
2-[[1-[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid
CID 18748177
(2S)-2-[[2-[[(2S)-1-[(2S)-1-[2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoic acid
CID 23651444
2-[[(2S)-1-[2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 175731269
1-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 22701815
1-[2-(cyclopentylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 60952576
1-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 120988990
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
1-[2-(2-methoxyethylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 79282787

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide (CID 119042843) is 1-[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide is CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCCC1C(=O)NC.
What is the InChIKey of 1-[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is NZKVDLHGMWADBP-VULFSTHESA-N. The full InChI is InChI=1S/C14H26N4O3/c1-4-9(2)12(15)14(21)17-8-11(19)18-7-5-6-10(18)13(20)16-3/h9-10,12H,4-8,15H2,1-3H3,(H,16,20)(H,17,21)/t9-,10?,12-/m0/s1.
What are the key properties of 1-[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
1-[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of -0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 119042843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).