(2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide

C12H23N3O2 — CID 164701774

IUPAC(2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide
SMILESCC(C)C[C@H](NC(=O)CN1CCCC1)C(N)=O
InChIInChI=1S/C12H23N3O2/c1-9(2)7-10(12(13)17)14-11(16)8-15-5-3-4-6-15/h9-10H,3-8H2,1-2H3,(H2,13,17)(H,14,16)/t10-/m0/s1
InChIKeyAZDYIGZTSLDVNK-JTQLQIEISA-N
MW241.33 g/mol
LogP0.10
Rot. Bonds6

About (2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide

(2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide (PubChem CID 164701774) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide
PubChem CID164701774
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide
SMILESCC(C)C[C@H](NC(=O)CN1CCCC1)C(N)=O
InChIInChI=1S/C12H23N3O2/c1-9(2)7-10(12(13)17)14-11(16)8-15-5-3-4-6-15/h9-10H,3-8H2,1-2H3,(H2,13,17)(H,14,16)/t10-/m0/s1
InChIKeyAZDYIGZTSLDVNK-JTQLQIEISA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(azepan-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 82042989
(2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid
CID 90040549
(2R)-4-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid
CID 78975617
methyl 2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]-4-methylpentanoate
CID 107225603
2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 86908322
2-[3-(azepan-1-yl)propanoylamino]-4-methylpentanoic acid
CID 52983772
2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 78815696
methyl 2-[[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate
CID 79411094
N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl iodide
CID 90231263
methyl 2-[[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate
CID 115301996
N-[(2S)-1-methoxypropan-2-yl]-2-pyrrolidin-1-ylacetamide
CID 94784934
(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-sulfanylacetyl)amino]pentanoyl]amino]pentanamide
CID 46882769

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide?
The IUPAC name of (2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide (CID 164701774) is (2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide.
What is the SMILES notation for (2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide?
The canonical SMILES for (2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide is CC(C)C[C@H](NC(=O)CN1CCCC1)C(N)=O.
What is the InChIKey of (2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide?
The InChIKey is AZDYIGZTSLDVNK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(2)7-10(12(13)17)14-11(16)8-15-5-3-4-6-15/h9-10H,3-8H2,1-2H3,(H2,13,17)(H,14,16)/t10-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide?
(2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide has a molecular weight of 241.33 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide is sourced from PubChem (CID 164701774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).