N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-1H-pyrrole-2-carboxamide

C16H25N3O3 — CID 25093407

IUPACN-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-1H-pyrrole-2-carboxamide
SMILESCC(C)C[C@@H](C=O)NC(=O)[C@@H](NC(=O)c1ccc[nH]1)C(C)C
InChIInChI=1S/C16H25N3O3/c1-10(2)8-12(9-20)18-16(22)14(11(3)4)19-15(21)13-6-5-7-17-13/h5-7,9-12,14,17H,8H2,1-4H3,(H,18,22)(H,19,21)/t12-,14-/m0/s1
InChIKeyQQXHCWVASSFMJS-JSGCOSHPSA-N
MW307.39 g/mol
LogP1.50
Rot. Bonds8

About N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-1H-pyrrole-2-carboxamide

N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-1H-pyrrole-2-carboxamide (PubChem CID 25093407) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-1H-pyrrole-2-carboxamide
PubChem CID25093407
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-1H-pyrrole-2-carboxamide
SMILESCC(C)C[C@@H](C=O)NC(=O)[C@@H](NC(=O)c1ccc[nH]1)C(C)C
InChIInChI=1S/C16H25N3O3/c1-10(2)8-12(9-20)18-16(22)14(11(3)4)19-15(21)13-6-5-7-17-13/h5-7,9-12,14,17H,8H2,1-4H3,(H,18,22)(H,19,21)/t12-,14-/m0/s1
InChIKeyQQXHCWVASSFMJS-JSGCOSHPSA-N
XLogP1.50
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]cyclopenta-1,3-diene-1-carboxamide
CID 59029560
(2R)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2R)-4-methyl-1-oxopentan-2-yl]butanamide
CID 11122265
3-hydroxy-2-(1H-pyrrole-2-carbonylamino)butanoic acid
CID 43208803
(2R)-2-[deuterio-(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 140979670
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 146672918
N-(3-oxopentan-2-yl)-1H-pyrrole-2-carboxamide
CID 166130167
N-(2-aminopropyl)-1H-pyrrole-2-carboxamide
CID 63732088
(2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 173121896
2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide
CID 22169553
(2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 175421037
N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]butan-2-yl]benzamide
CID 54311703
2-[(2-aminoacetyl)amino]-N-(4-methyl-1-oxopentan-2-yl)propanamide
CID 143591672

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-1H-pyrrole-2-carboxamide (CID 25093407) is N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-1H-pyrrole-2-carboxamide is CC(C)C[C@@H](C=O)NC(=O)[C@@H](NC(=O)c1ccc[nH]1)C(C)C.
What is the InChIKey of N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is QQXHCWVASSFMJS-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-10(2)8-12(9-20)18-16(22)14(11(3)4)19-15(21)13-6-5-7-17-13/h5-7,9-12,14,17H,8H2,1-4H3,(H,18,22)(H,19,21)/t12-,14-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-1H-pyrrole-2-carboxamide?
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.50, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 25093407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).