(2R)-2-acetamidopentanoic acid

C7H13NO3 — CID 2775812

IUPAC(2R)-2-acetamidopentanoic acid
SMILESCCC[C@@H](NC(C)=O)C(=O)O
InChIInChI=1S/C7H13NO3/c1-3-4-6(7(10)11)8-5(2)9/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m1/s1
InChIKeyBSYFPUSAWVWWDG-ZCFIWIBFSA-N
MW159.18 g/mol
LogP0.38
Rot. Bonds4

About (2R)-2-acetamidopentanoic acid

(2R)-2-acetamidopentanoic acid (PubChem CID 2775812) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (2R)-2-acetamidopentanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamidopentanoic acid
PubChem CID2775812
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(2R)-2-acetamidopentanoic acid
SMILESCCC[C@@H](NC(C)=O)C(=O)O
InChIInChI=1S/C7H13NO3/c1-3-4-6(7(10)11)8-5(2)9/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m1/s1
InChIKeyBSYFPUSAWVWWDG-ZCFIWIBFSA-N
XLogP0.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Aceglutamide
CID 182230
N-Acetyl-L-glutamic acid
CID 70914
N-Acetyl-L-leucine
CID 70912
N-Acetyl-L-alanine
CID 88064
Glycyl-L-leucine
CID 92843
N-acetylglutamic acid
CID 185
N-Acetyl-L-ornithine
CID 439232
N-Acetyl-D-leucine
CID 1241420
N-Acetyl-L-Lysine
CID 92907
L-Alanyl-L-leucine
CID 96801
acetyl-DL-leucine
CID 1995
Butyrylglycine
CID 88412

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamidopentanoic acid?
The IUPAC name of (2R)-2-acetamidopentanoic acid (CID 2775812) is (2R)-2-acetamidopentanoic acid.
What is the SMILES notation for (2R)-2-acetamidopentanoic acid?
The canonical SMILES for (2R)-2-acetamidopentanoic acid is CCC[C@@H](NC(C)=O)C(=O)O.
What is the InChIKey of (2R)-2-acetamidopentanoic acid?
The InChIKey is BSYFPUSAWVWWDG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-4-6(7(10)11)8-5(2)9/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m1/s1.
What are the key properties of (2R)-2-acetamidopentanoic acid?
(2R)-2-acetamidopentanoic acid has a molecular weight of 159.18 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamidopentanoic acid is sourced from PubChem (CID 2775812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).