2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid

C11H22N2O2 — CID 64728240

IUPAC2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
SMILESCCN(C(C)CC(C)(N)C(=O)O)C1CC1
InChIInChI=1S/C11H22N2O2/c1-4-13(9-5-6-9)8(2)7-11(3,12)10(14)15/h8-9H,4-7,12H2,1-3H3,(H,14,15)
InChIKeyITRZDCCSEMMORT-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.05
Rot. Bonds6

About 2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid

2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid (PubChem CID 64728240) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
PubChem CID64728240
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
SMILESCCN(C(C)CC(C)(N)C(=O)O)C1CC1
InChIInChI=1S/C11H22N2O2/c1-4-13(9-5-6-9)8(2)7-11(3,12)10(14)15/h8-9H,4-7,12H2,1-3H3,(H,14,15)
InChIKeyITRZDCCSEMMORT-UHFFFAOYSA-N
XLogP1.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-[cyclohexyl(ethyl)amino]-2-methylpentanamide
CID 64725354
4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 64725859
2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728237
2-amino-4-(dimethylamino)-2-methylpentanoic acid
CID 64725828
2-amino-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoic acid
CID 64709217
tert-butyl 2-[cyclopropyl(ethyl)amino]propanoate
CID 64687370
methyl 2-amino-4-[cyclopropyl(2-methylpropyl)amino]-2-methylpentanoate
CID 64709489
methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
CID 64728233
2-[cyclopropyl(ethyl)amino]-4-methylpentan-3-one
CID 77400027
4-N-ethyl-4-N-(4-methoxy-4-methylpentan-2-yl)cyclohexane-1,4-diamine
CID 79115733
N-butan-2-yl-N-ethylcyclopropanamine
CID 123791449
2-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 64711201

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid (CID 64728240) is 2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid is CCN(C(C)CC(C)(N)C(=O)O)C1CC1.
What is the InChIKey of 2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid?
The InChIKey is ITRZDCCSEMMORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-13(9-5-6-9)8(2)7-11(3,12)10(14)15/h8-9H,4-7,12H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid?
2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid has a molecular weight of 214.31 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 64728240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).