2-[3-(4-methylphenyl)pentanoyl-propan-2-ylamino]acetic acid

C17H25NO3 — CID 119198808

IUPAC2-[3-(4-methylphenyl)pentanoyl-propan-2-ylamino]acetic acid
SMILESCCC(CC(=O)N(CC(=O)O)C(C)C)c1ccc(C)cc1
InChIInChI=1S/C17H25NO3/c1-5-14(15-8-6-13(4)7-9-15)10-16(19)18(12(2)3)11-17(20)21/h6-9,12,14H,5,10-11H2,1-4H3,(H,20,21)
InChIKeyPULIYNIIKVNVKV-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.20
Rot. Bonds7

About 2-[3-(4-methylphenyl)pentanoyl-propan-2-ylamino]acetic acid

2-[3-(4-methylphenyl)pentanoyl-propan-2-ylamino]acetic acid (PubChem CID 119198808) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)pentanoyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)pentanoyl-propan-2-ylamino]acetic acid
PubChem CID119198808
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[3-(4-methylphenyl)pentanoyl-propan-2-ylamino]acetic acid
SMILESCCC(CC(=O)N(CC(=O)O)C(C)C)c1ccc(C)cc1
InChIInChI=1S/C17H25NO3/c1-5-14(15-8-6-13(4)7-9-15)10-16(19)18(12(2)3)11-17(20)21/h6-9,12,14H,5,10-11H2,1-4H3,(H,20,21)
InChIKeyPULIYNIIKVNVKV-UHFFFAOYSA-N
XLogP3.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-(4-methylphenyl)pentanoyl-propan-2-ylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-phenylpentanoyl(propan-2-yl)amino]acetic acid
CID 119198466
N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide
CID 119581659
N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide;hydrochloride
CID 119581658
2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 62003076
2-[(4-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 60830660
3-[3-(4-methylphenyl)pentanoylamino]propanoic acid
CID 119177620
2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid
CID 61160864
2-[ethyl(3-phenylpentanoyl)amino]acetic acid
CID 119206232
2-[butan-2-yl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]acetic acid
CID 119954527
2-[3-(4-methylphenyl)pentanoylamino]propanoic acid
CID 119225866
2-[butan-2-yl-[2-(4-methylphenoxy)acetyl]amino]acetic acid
CID 60829574
2-[3-(1,3-dioxoisoindol-2-yl)propanoyl-propan-2-ylamino]acetic acid
CID 119197989

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)pentanoyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[3-(4-methylphenyl)pentanoyl-propan-2-ylamino]acetic acid (CID 119198808) is 2-[3-(4-methylphenyl)pentanoyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[3-(4-methylphenyl)pentanoyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[3-(4-methylphenyl)pentanoyl-propan-2-ylamino]acetic acid is CCC(CC(=O)N(CC(=O)O)C(C)C)c1ccc(C)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)pentanoyl-propan-2-ylamino]acetic acid?
The InChIKey is PULIYNIIKVNVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-5-14(15-8-6-13(4)7-9-15)10-16(19)18(12(2)3)11-17(20)21/h6-9,12,14H,5,10-11H2,1-4H3,(H,20,21).
What are the key properties of 2-[3-(4-methylphenyl)pentanoyl-propan-2-ylamino]acetic acid?
2-[3-(4-methylphenyl)pentanoyl-propan-2-ylamino]acetic acid has a molecular weight of 291.39 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)pentanoyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 119198808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).