2-[cyclopropyl-(1-hydroxy-3-oxobutan-2-yl)amino]acetic acid

C9H15NO4 — CID 59945897

IUPAC2-[cyclopropyl-(1-hydroxy-3-oxobutan-2-yl)amino]acetic acid
SMILESCC(=O)C(CO)N(CC(=O)O)C1CC1
InChIInChI=1S/C9H15NO4/c1-6(12)8(5-11)10(4-9(13)14)7-2-3-7/h7-8,11H,2-5H2,1H3,(H,13,14)
InChIKeyFJPHNSBSAVFYBR-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.51
Rot. Bonds6

About 2-[cyclopropyl-(1-hydroxy-3-oxobutan-2-yl)amino]acetic acid

2-[cyclopropyl-(1-hydroxy-3-oxobutan-2-yl)amino]acetic acid (PubChem CID 59945897) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[cyclopropyl-(1-hydroxy-3-oxobutan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(1-hydroxy-3-oxobutan-2-yl)amino]acetic acid
PubChem CID59945897
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[cyclopropyl-(1-hydroxy-3-oxobutan-2-yl)amino]acetic acid
SMILESCC(=O)C(CO)N(CC(=O)O)C1CC1
InChIInChI=1S/C9H15NO4/c1-6(12)8(5-11)10(4-9(13)14)7-2-3-7/h7-8,11H,2-5H2,1H3,(H,13,14)
InChIKeyFJPHNSBSAVFYBR-UHFFFAOYSA-N
XLogP-0.51
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropyl-(1-hydroxy-3-oxobutan-2-yl)amino]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-[acetyl(cyclopropyl)amino]-3-hydroxypropanoic acid
CID 104711277
2-[cyclopropyl(heptan-3-yl)amino]acetic acid
CID 65058172
2-[cyclopropyl(5-methylheptan-3-yl)amino]acetic acid
CID 65057817
2-[cyclopropyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54945067
2-[cyclopentyl(4-methylpentan-2-yl)amino]acetic acid
CID 65058452
2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid
CID 65057099
2-[cyclopentyl(3-methylpentan-2-yl)amino]acetic acid
CID 65058642
2-[cyclopropyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54945162
(3R)-3-(dimethylamino)-4-hydroxybutan-2-one
CID 59048229
(3S)-3-(dimethylamino)-4-hydroxybutan-2-one
CID 59048256
2-[cyclopentyl(2-methylpentan-3-yl)amino]acetic acid
CID 65058785
2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid
CID 65062596

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(1-hydroxy-3-oxobutan-2-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(1-hydroxy-3-oxobutan-2-yl)amino]acetic acid (CID 59945897) is 2-[cyclopropyl-(1-hydroxy-3-oxobutan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(1-hydroxy-3-oxobutan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(1-hydroxy-3-oxobutan-2-yl)amino]acetic acid is CC(=O)C(CO)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(1-hydroxy-3-oxobutan-2-yl)amino]acetic acid?
The InChIKey is FJPHNSBSAVFYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-6(12)8(5-11)10(4-9(13)14)7-2-3-7/h7-8,11H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-[cyclopropyl-(1-hydroxy-3-oxobutan-2-yl)amino]acetic acid?
2-[cyclopropyl-(1-hydroxy-3-oxobutan-2-yl)amino]acetic acid has a molecular weight of 201.22 g/mol, XLogP of -0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(1-hydroxy-3-oxobutan-2-yl)amino]acetic acid is sourced from PubChem (CID 59945897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).