2-(N-(5-amino-4-methylpentanoyl)anilino)acetic acid

C14H20N2O3 — CID 82011215

IUPAC2-(N-(5-amino-4-methylpentanoyl)anilino)acetic acid
SMILESCC(CN)CCC(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-11(9-15)7-8-13(17)16(10-14(18)19)12-5-3-2-4-6-12/h2-6,11H,7-10,15H2,1H3,(H,18,19)
InChIKeyRSVJNMQHFOKGPF-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.48
Rot. Bonds7

About 2-(N-(5-amino-4-methylpentanoyl)anilino)acetic acid

2-(N-(5-amino-4-methylpentanoyl)anilino)acetic acid (PubChem CID 82011215) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(N-(5-amino-4-methylpentanoyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(N-(5-amino-4-methylpentanoyl)anilino)acetic acid
PubChem CID82011215
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(N-(5-amino-4-methylpentanoyl)anilino)acetic acid
SMILESCC(CN)CCC(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-11(9-15)7-8-13(17)16(10-14(18)19)12-5-3-2-4-6-12/h2-6,11H,7-10,15H2,1H3,(H,18,19)
InChIKeyRSVJNMQHFOKGPF-UHFFFAOYSA-N
XLogP1.48
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(3-methylsulfonylpropanoyl)anilino]acetic acid
CID 60830479
2-[N-[2-(aminomethyl)butanoyl]anilino]acetic acid
CID 65229507
2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid
CID 60830764
5-amino-N-ethyl-4-methyl-N-pyridin-4-ylpentanamide
CID 106935520
2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid
CID 78973201
2-[N-(2-methylpropanoyl)anilino]acetic acid
CID 28764984
5-amino-N-benzyl-N-(2-hydroxyethyl)-4-methylpentanamide
CID 82011728
2-[N-(5-aminohexanoyl)-4-methylanilino]acetic acid
CID 82852404
2-[(5-amino-4-methylpentanoyl)-butan-2-ylamino]acetic acid
CID 82011908
2-[2-[(5-amino-4-methylpentanoyl)-methylamino]ethyl]benzoic acid
CID 104548346
2-[N-(12-methoxydodecanoyl)anilino]acetic acid
CID 19611757
4-amino-N-butyl-N-phenylpentanamide
CID 64585388

Frequently Asked Questions

What is the IUPAC name of 2-(N-(5-amino-4-methylpentanoyl)anilino)acetic acid?
The IUPAC name of 2-(N-(5-amino-4-methylpentanoyl)anilino)acetic acid (CID 82011215) is 2-(N-(5-amino-4-methylpentanoyl)anilino)acetic acid.
What is the SMILES notation for 2-(N-(5-amino-4-methylpentanoyl)anilino)acetic acid?
The canonical SMILES for 2-(N-(5-amino-4-methylpentanoyl)anilino)acetic acid is CC(CN)CCC(=O)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-(N-(5-amino-4-methylpentanoyl)anilino)acetic acid?
The InChIKey is RSVJNMQHFOKGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11(9-15)7-8-13(17)16(10-14(18)19)12-5-3-2-4-6-12/h2-6,11H,7-10,15H2,1H3,(H,18,19).
What are the key properties of 2-(N-(5-amino-4-methylpentanoyl)anilino)acetic acid?
2-(N-(5-amino-4-methylpentanoyl)anilino)acetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(5-amino-4-methylpentanoyl)anilino)acetic acid is sourced from PubChem (CID 82011215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).