(2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

C17H32N4O3 — CID 10497377

IUPAC(2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
SMILESCCC(CC)(NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCCN1)C(N)=O
InChIInChI=1S/C17H32N4O3/c1-5-17(6-2,16(18)24)21-15(23)13(10-11(3)4)20-14(22)12-8-7-9-19-12/h11-13,19H,5-10H2,1-4H3,(H2,18,24)(H,20,22)(H,21,23)/t12-,13+/m0/s1
InChIKeyBENNJCHHUVVJJK-QWHCGFSZSA-N
MW340.47 g/mol
LogP0.43
Rot. Bonds9

About (2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

(2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 10497377) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is (2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
PubChem CID10497377
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC Name(2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
SMILESCCC(CC)(NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCCN1)C(N)=O
InChIInChI=1S/C17H32N4O3/c1-5-17(6-2,16(18)24)21-15(23)13(10-11(3)4)20-14(22)12-8-7-9-19-12/h11-13,19H,5-10H2,1-4H3,(H2,18,24)(H,20,22)(H,21,23)/t12-,13+/m0/s1
InChIKeyBENNJCHHUVVJJK-QWHCGFSZSA-N
XLogP0.43
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 51387302
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)(15N)amino]-4-methyl-1-oxo(113C)pentan-2-yl]pyrrolidine-2-carboxamide
CID 10266003
N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 171324514
(2S)-N-[(2S)-4-methyl-1-(octadecylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 102062594
(2S)-3-hydroxy-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoic acid
CID 145457511
methyl (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
CID 68798809
(2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid
CID 61160577
(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]propanoic acid
CID 24896838
N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 163300708
methyl (2S)-2-(azepane-2-carbonylamino)-4-methylpentanoate
CID 103954871
(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylpentanoic acid
CID 145457574
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide;hydrochloride
CID 91619283

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide (CID 10497377) is (2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide is CCC(CC)(NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCCN1)C(N)=O.
What is the InChIKey of (2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is BENNJCHHUVVJJK-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-5-17(6-2,16(18)24)21-15(23)13(10-11(3)4)20-14(22)12-8-7-9-19-12/h11-13,19H,5-10H2,1-4H3,(H2,18,24)(H,20,22)(H,21,23)/t12-,13+/m0/s1.
What are the key properties of (2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 0.43, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 10497377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).