3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid

C9H15NO4 — CID 82327511

IUPAC3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CC(=O)O)C1CC1)C(=O)O
InChIInChI=1S/C9H15NO4/c1-6(9(13)14)4-10(5-8(11)12)7-2-3-7/h6-7H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyVKVRCMYQZXQFPZ-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.26
Rot. Bonds6

About 3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid

3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid (PubChem CID 82327511) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid
PubChem CID82327511
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CC(=O)O)C1CC1)C(=O)O
InChIInChI=1S/C9H15NO4/c1-6(9(13)14)4-10(5-8(11)12)7-2-3-7/h6-7H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyVKVRCMYQZXQFPZ-UHFFFAOYSA-N
XLogP0.26
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl(2-methylpropyl)amino]acetic acid
CID 60835237
3-[2-carboxyethyl(cyclohexyl)amino]-2-methylpropanoic acid
CID 82329250
3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid
CID 43538764
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid
CID 60833387
2-[(1-methylpiperidin-4-yl)-(2-methylpropyl)amino]acetic acid
CID 65063962
3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid
CID 82330624
3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82329620
2-[(3-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid
CID 65064148
3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 82323712
2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid
CID 65094431
3-[ethyl-(1-propylpiperidin-4-yl)amino]-2-methylpropanoic acid
CID 65062044
3-[cyclopropyl-[(2-methylphenyl)methyl]amino]-2-methylpropanoic acid
CID 82327858

Frequently Asked Questions

What is the IUPAC name of 3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid (CID 82327511) is 3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid is CC(CN(CC(=O)O)C1CC1)C(=O)O.
What is the InChIKey of 3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid?
The InChIKey is VKVRCMYQZXQFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-6(9(13)14)4-10(5-8(11)12)7-2-3-7/h6-7H,2-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid?
3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid has a molecular weight of 201.22 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82327511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).