(2S)-N-methyl-N-[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

C16H31N3O2 — CID 22803642

IUPAC(2S)-N-methyl-N-[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(C)CNC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C16H31N3O2/c1-11(2)9-14(15(20)18-10-12(3)4)19(5)16(21)13-7-6-8-17-13/h11-14,17H,6-10H2,1-5H3,(H,18,20)/t13-,14-/m0/s1
InChIKeySOAPAWNJCRAFBI-KBPBESRZSA-N
MW297.44 g/mol
LogP1.38
Rot. Bonds7

About (2S)-N-methyl-N-[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

(2S)-N-methyl-N-[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 22803642) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is (2S)-N-methyl-N-[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
PubChem CID22803642
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name(2S)-N-methyl-N-[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(C)CNC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C16H31N3O2/c1-11(2)9-14(15(20)18-10-12(3)4)19(5)16(21)13-7-6-8-17-13/h11-14,17H,6-10H2,1-5H3,(H,18,20)/t13-,14-/m0/s1
InChIKeySOAPAWNJCRAFBI-KBPBESRZSA-N
XLogP1.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide
CID 22797057
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-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide
CID 103833218
2-[methyl-[(2R)-piperidine-2-carbonyl]amino]butanoic acid
CID 104913782
(2S)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 103796173
2-[(2-aminoacetyl)-(pyrrolidine-2-carbonyl)amino]-4-methylpentanoic acid
CID 70411878
methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate
CID 60947765
(2R)-N-[2-(dimethylamino)-4-methylpentyl]piperidine-2-carboxamide
CID 113267374
N,N-dimethylpyrrolidine-2-carboxamide
CID 14282308
N-methyl-N-(3-methylbutan-2-yl)azepane-2-carboxamide
CID 64562225
(2S)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide
CID 104914638
(2R)-N-(2-hydroxy-4-methylpentyl)piperidine-2-carboxamide
CID 103812099

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-N-[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide (CID 22803642) is (2S)-N-methyl-N-[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-N-[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-N-[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide is CC(C)CNC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-methyl-N-[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is SOAPAWNJCRAFBI-KBPBESRZSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-11(2)9-14(15(20)18-10-12(3)4)19(5)16(21)13-7-6-8-17-13/h11-14,17H,6-10H2,1-5H3,(H,18,20)/t13-,14-/m0/s1.
What are the key properties of (2S)-N-methyl-N-[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-methyl-N-[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 22803642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).