2-[cyclopropylmethyl(2-methylpentyl)amino]acetic acid

C12H23NO2 — CID 62265201

IUPAC2-[cyclopropylmethyl(2-methylpentyl)amino]acetic acid
SMILESCCCC(C)CN(CC(=O)O)CC1CC1
InChIInChI=1S/C12H23NO2/c1-3-4-10(2)7-13(9-12(14)15)8-11-5-6-11/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyTUCGCGDEPZZLML-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.22
Rot. Bonds8

About 2-[cyclopropylmethyl(2-methylpentyl)amino]acetic acid

2-[cyclopropylmethyl(2-methylpentyl)amino]acetic acid (PubChem CID 62265201) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(2-methylpentyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(2-methylpentyl)amino]acetic acid
PubChem CID62265201
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[cyclopropylmethyl(2-methylpentyl)amino]acetic acid
SMILESCCCC(C)CN(CC(=O)O)CC1CC1
InChIInChI=1S/C12H23NO2/c1-3-4-10(2)7-13(9-12(14)15)8-11-5-6-11/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyTUCGCGDEPZZLML-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid
CID 65054998
2-[cyclopropylmethyl-[2-(diethylamino)ethyl]amino]acetic acid
CID 43656536
2-[cyclopropylmethyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid
CID 43656845
2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 43656855
2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 103869519
4-[cyclopropylmethyl(propyl)amino]-3-hydroxybutanoic acid
CID 82770458
2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid
CID 43655102
2-[(3-chloro-2-methylprop-2-enyl)-(cyclopropylmethyl)amino]acetic acid
CID 106439202
2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid
CID 43656730
N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine
CID 21355618
2-[3-methylbutyl(propyl)amino]acetic acid
CID 61008977
4-[cyclopropylmethyl(methyl)amino]pentanoic acid
CID 62213989

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(2-methylpentyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(2-methylpentyl)amino]acetic acid (CID 62265201) is 2-[cyclopropylmethyl(2-methylpentyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(2-methylpentyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(2-methylpentyl)amino]acetic acid is CCCC(C)CN(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(2-methylpentyl)amino]acetic acid?
The InChIKey is TUCGCGDEPZZLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-4-10(2)7-13(9-12(14)15)8-11-5-6-11/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[cyclopropylmethyl(2-methylpentyl)amino]acetic acid?
2-[cyclopropylmethyl(2-methylpentyl)amino]acetic acid has a molecular weight of 213.32 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(2-methylpentyl)amino]acetic acid is sourced from PubChem (CID 62265201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).