(2S)-N-[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]pyrrolidine-2-carboxamide

C13H25N3O2 — CID 102282932

IUPAC(2S)-N-[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]pyrrolidine-2-carboxamide
SMILESCCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C
InChIInChI=1S/C13H25N3O2/c1-4-7-15-13(18)11(9(2)3)16-12(17)10-6-5-8-14-10/h9-11,14H,4-8H2,1-3H3,(H,15,18)(H,16,17)/t10-,11-/m0/s1
InChIKeyQJQXBBUKDLTQLQ-QWRGUYRKSA-N
MW255.36 g/mol
LogP0.41
Rot. Bonds6

About (2S)-N-[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]pyrrolidine-2-carboxamide

(2S)-N-[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 102282932) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2S)-N-[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]pyrrolidine-2-carboxamide
PubChem CID102282932
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name(2S)-N-[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]pyrrolidine-2-carboxamide
SMILESCCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C
InChIInChI=1S/C13H25N3O2/c1-4-7-15-13(18)11(9(2)3)16-12(17)10-6-5-8-14-10/h9-11,14H,4-8H2,1-3H3,(H,15,18)(H,16,17)/t10-,11-/m0/s1
InChIKeyQJQXBBUKDLTQLQ-QWRGUYRKSA-N
XLogP0.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxamide
CID 103808196
N-propylpyrrolidine-2-carboxamide
CID 4984185
2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetic acid
CID 145457589
cyclohexylmethyl-dihydroxy-[3-[[(2S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]-2-oxopropyl]phosphanium
CID 91360513
(2S)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide
CID 57438438
(2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide
CID 106344923
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate
CID 14278857
(2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide
CID 61249248
N-(1-hydroxy-4-methylpentan-2-yl)pyrrolidine-2-carboxamide
CID 61246606
N-[2-oxo-2-(propylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119271449
N-[(1R)-1-hydroxyethyl]pyrrolidine-2-carboxamide
CID 175256598

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]pyrrolidine-2-carboxamide (CID 102282932) is (2S)-N-[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]pyrrolidine-2-carboxamide is CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C.
What is the InChIKey of (2S)-N-[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is QJQXBBUKDLTQLQ-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-7-15-13(18)11(9(2)3)16-12(17)10-6-5-8-14-10/h9-11,14H,4-8H2,1-3H3,(H,15,18)(H,16,17)/t10-,11-/m0/s1.
What are the key properties of (2S)-N-[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 102282932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).