(3S)-3-(aminomethyl)-5-cyclopropylhexanoic acid

C10H19NO2 — CID 57287569

IUPAC(3S)-3-(aminomethyl)-5-cyclopropylhexanoic acid
SMILESCC(C[C@H](CN)CC(=O)O)C1CC1
InChIInChI=1S/C10H19NO2/c1-7(9-2-3-9)4-8(6-11)5-10(12)13/h7-9H,2-6,11H2,1H3,(H,12,13)/t7?,8-/m0/s1
InChIKeyKPXGGTAOFKPJCB-MQWKRIRWSA-N
MW185.27 g/mol
LogP1.47
Rot. Bonds6

About (3S)-3-(aminomethyl)-5-cyclopropylhexanoic acid

(3S)-3-(aminomethyl)-5-cyclopropylhexanoic acid (PubChem CID 57287569) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-5-cyclopropylhexanoic acid.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-5-cyclopropylhexanoic acid
PubChem CID57287569
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3S)-3-(aminomethyl)-5-cyclopropylhexanoic acid
SMILESCC(C[C@H](CN)CC(=O)O)C1CC1
InChIInChI=1S/C10H19NO2/c1-7(9-2-3-9)4-8(6-11)5-10(12)13/h7-9H,2-6,11H2,1H3,(H,12,13)/t7?,8-/m0/s1
InChIKeyKPXGGTAOFKPJCB-MQWKRIRWSA-N
XLogP1.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-5-cyclopropylhexanoic acid?
The IUPAC name of (3S)-3-(aminomethyl)-5-cyclopropylhexanoic acid (CID 57287569) is (3S)-3-(aminomethyl)-5-cyclopropylhexanoic acid.
What is the SMILES notation for (3S)-3-(aminomethyl)-5-cyclopropylhexanoic acid?
The canonical SMILES for (3S)-3-(aminomethyl)-5-cyclopropylhexanoic acid is CC(C[C@H](CN)CC(=O)O)C1CC1.
What is the InChIKey of (3S)-3-(aminomethyl)-5-cyclopropylhexanoic acid?
The InChIKey is KPXGGTAOFKPJCB-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(9-2-3-9)4-8(6-11)5-10(12)13/h7-9H,2-6,11H2,1H3,(H,12,13)/t7?,8-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-5-cyclopropylhexanoic acid?
(3S)-3-(aminomethyl)-5-cyclopropylhexanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-5-cyclopropylhexanoic acid is sourced from PubChem (CID 57287569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).