2-amino-7-cyclopropyl-4-ethyl-6-methylheptanoic acid

C13H25NO2 — CID 173198300

IUPAC2-amino-7-cyclopropyl-4-ethyl-6-methylheptanoic acid
SMILESCCC(CC(C)CC1CC1)CC(N)C(=O)O
InChIInChI=1S/C13H25NO2/c1-3-10(8-12(14)13(15)16)6-9(2)7-11-4-5-11/h9-12H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyZHBWEJIIRQRRTB-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.64
Rot. Bonds8

About 2-amino-7-cyclopropyl-4-ethyl-6-methylheptanoic acid

2-amino-7-cyclopropyl-4-ethyl-6-methylheptanoic acid (PubChem CID 173198300) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-amino-7-cyclopropyl-4-ethyl-6-methylheptanoic acid.

Molecular Properties

Compound Name2-amino-7-cyclopropyl-4-ethyl-6-methylheptanoic acid
PubChem CID173198300
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-amino-7-cyclopropyl-4-ethyl-6-methylheptanoic acid
SMILESCCC(CC(C)CC1CC1)CC(N)C(=O)O
InChIInChI=1S/C13H25NO2/c1-3-10(8-12(14)13(15)16)6-9(2)7-11-4-5-11/h9-12H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyZHBWEJIIRQRRTB-UHFFFAOYSA-N
XLogP2.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-cyclopropylpropanoic acid
CID 519178
(2R,4R)-2-(aminomethyl)-5-cyclopropyl-4-methylpentanoic acid
CID 68872167
(2S)-2-amino-3-cyclopropylpropanoic acid;(3S)-3-(cyclopropylmethyl)pentan-2-one
CID 159347857
2,6-diamino-4-ethyl-6-oxohexanoic acid
CID 87815600
(2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid
CID 59382839
2-amino-4-cyclohexylhexanoic acid
CID 19433409
2-amino-5-cyclopropyl-4-methylhexanoic acid
CID 174468132
2-amino-4-ethyl-7-hydroxyheptanoic acid
CID 123400393
2-amino-4-ethyl-6,7-dioxooctanoic acid
CID 123366170
(3S)-3-(aminomethyl)-6-cyclohexyl-5-methylhexanoic acid
CID 56994800
ethyl 2-ethyl-5-(4-hydroxycyclohexyl)-4-methylpentanoate
CID 131972278
2-amino-5-cyclobutyl-4-methylhexanoic acid
CID 174468126

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-cyclopropyl-4-ethyl-6-methylheptanoic acid?
The IUPAC name of 2-amino-7-cyclopropyl-4-ethyl-6-methylheptanoic acid (CID 173198300) is 2-amino-7-cyclopropyl-4-ethyl-6-methylheptanoic acid.
What is the SMILES notation for 2-amino-7-cyclopropyl-4-ethyl-6-methylheptanoic acid?
The canonical SMILES for 2-amino-7-cyclopropyl-4-ethyl-6-methylheptanoic acid is CCC(CC(C)CC1CC1)CC(N)C(=O)O.
What is the InChIKey of 2-amino-7-cyclopropyl-4-ethyl-6-methylheptanoic acid?
The InChIKey is ZHBWEJIIRQRRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-10(8-12(14)13(15)16)6-9(2)7-11-4-5-11/h9-12H,3-8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-7-cyclopropyl-4-ethyl-6-methylheptanoic acid?
2-amino-7-cyclopropyl-4-ethyl-6-methylheptanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-cyclopropyl-4-ethyl-6-methylheptanoic acid is sourced from PubChem (CID 173198300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).