(3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid

C11H21NO2 — CID 68857466

IUPAC(3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid
SMILESC[C@H](CCC1CC1)C[C@H](N)CC(=O)O
InChIInChI=1S/C11H21NO2/c1-8(2-3-9-4-5-9)6-10(12)7-11(13)14/h8-10H,2-7,12H2,1H3,(H,13,14)/t8-,10+/m1/s1
InChIKeyMRZJJGINLHHLGH-SCZZXKLOSA-N
MW199.29 g/mol
LogP2.00
Rot. Bonds7

About (3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid

(3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid (PubChem CID 68857466) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid.

Molecular Properties

Compound Name(3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid
PubChem CID68857466
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid
SMILESC[C@H](CCC1CC1)C[C@H](N)CC(=O)O
InChIInChI=1S/C11H21NO2/c1-8(2-3-9-4-5-9)6-10(12)7-11(13)14/h8-10H,2-7,12H2,1H3,(H,13,14)/t8-,10+/m1/s1
InChIKeyMRZJJGINLHHLGH-SCZZXKLOSA-N
XLogP2.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid?
The IUPAC name of (3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid (CID 68857466) is (3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid.
What is the SMILES notation for (3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid?
The canonical SMILES for (3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid is C[C@H](CCC1CC1)C[C@H](N)CC(=O)O.
What is the InChIKey of (3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid?
The InChIKey is MRZJJGINLHHLGH-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2-3-9-4-5-9)6-10(12)7-11(13)14/h8-10H,2-7,12H2,1H3,(H,13,14)/t8-,10+/m1/s1.
What are the key properties of (3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid?
(3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid is sourced from PubChem (CID 68857466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).