N-[1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-3-yl]acetamide

C12H23N3O2 — CID 113402254

IUPACN-[1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)[C@@H](N)CC(C)C)C1
InChIInChI=1S/C12H23N3O2/c1-8(2)6-11(13)12(17)15-5-4-10(7-15)14-9(3)16/h8,10-11H,4-7,13H2,1-3H3,(H,14,16)/t10?,11-/m0/s1
InChIKeyIVMVFGXHNLSEJK-DTIOYNMSSA-N
MW241.33 g/mol
LogP0.10
Rot. Bonds4

About N-[1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-3-yl]acetamide

N-[1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-3-yl]acetamide (PubChem CID 113402254) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-3-yl]acetamide
PubChem CID113402254
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)[C@@H](N)CC(C)C)C1
InChIInChI=1S/C12H23N3O2/c1-8(2)6-11(13)12(17)15-5-4-10(7-15)14-9(3)16/h8,10-11H,4-7,13H2,1-3H3,(H,14,16)/t10?,11-/m0/s1
InChIKeyIVMVFGXHNLSEJK-DTIOYNMSSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

N-[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]acetamide
CID 66567654
N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide
CID 77144242
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylpropanamide
CID 61164143
N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]-2-methylpropanamide
CID 60947774
N-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide
CID 113402267
ethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate
CID 60962778
N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide
CID 54872159
(2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 103812979
(2S)-2-amino-1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 118427491
N-[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]acetamide
CID 66567589
N-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]acetamide
CID 81083280
(2S)-2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119032049

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-3-yl]acetamide (CID 113402254) is N-[1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(C(=O)[C@@H](N)CC(C)C)C1.
What is the InChIKey of N-[1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-3-yl]acetamide?
The InChIKey is IVMVFGXHNLSEJK-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8(2)6-11(13)12(17)15-5-4-10(7-15)14-9(3)16/h8,10-11H,4-7,13H2,1-3H3,(H,14,16)/t10?,11-/m0/s1.
What are the key properties of N-[1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-3-yl]acetamide?
N-[1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-3-yl]acetamide has a molecular weight of 241.33 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 113402254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).