(2R,4R)-2-(aminomethyl)-5-cyclopropyl-4-methylpentanoic acid

C10H19NO2 — CID 68872167

IUPAC(2R,4R)-2-(aminomethyl)-5-cyclopropyl-4-methylpentanoic acid
SMILESC[C@H](CC1CC1)C[C@H](CN)C(=O)O
InChIInChI=1S/C10H19NO2/c1-7(4-8-2-3-8)5-9(6-11)10(12)13/h7-9H,2-6,11H2,1H3,(H,12,13)/t7-,9-/m1/s1
InChIKeyZUFXWZHSIISWCF-VXNVDRBHSA-N
MW185.27 g/mol
LogP1.47
Rot. Bonds6

About (2R,4R)-2-(aminomethyl)-5-cyclopropyl-4-methylpentanoic acid

(2R,4R)-2-(aminomethyl)-5-cyclopropyl-4-methylpentanoic acid (PubChem CID 68872167) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2R,4R)-2-(aminomethyl)-5-cyclopropyl-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R,4R)-2-(aminomethyl)-5-cyclopropyl-4-methylpentanoic acid
PubChem CID68872167
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2R,4R)-2-(aminomethyl)-5-cyclopropyl-4-methylpentanoic acid
SMILESC[C@H](CC1CC1)C[C@H](CN)C(=O)O
InChIInChI=1S/C10H19NO2/c1-7(4-8-2-3-8)5-9(6-11)10(12)13/h7-9H,2-6,11H2,1H3,(H,12,13)/t7-,9-/m1/s1
InChIKeyZUFXWZHSIISWCF-VXNVDRBHSA-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 (2R,4R)-2-(aminomethyl)-5-cyclopropyl-4-methylpentanoic acid?
The IUPAC name of (2R,4R)-2-(aminomethyl)-5-cyclopropyl-4-methylpentanoic acid (CID 68872167) is (2R,4R)-2-(aminomethyl)-5-cyclopropyl-4-methylpentanoic acid.
What is the SMILES notation for (2R,4R)-2-(aminomethyl)-5-cyclopropyl-4-methylpentanoic acid?
The canonical SMILES for (2R,4R)-2-(aminomethyl)-5-cyclopropyl-4-methylpentanoic acid is C[C@H](CC1CC1)C[C@H](CN)C(=O)O.
What is the InChIKey of (2R,4R)-2-(aminomethyl)-5-cyclopropyl-4-methylpentanoic acid?
The InChIKey is ZUFXWZHSIISWCF-VXNVDRBHSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(4-8-2-3-8)5-9(6-11)10(12)13/h7-9H,2-6,11H2,1H3,(H,12,13)/t7-,9-/m1/s1.
What are the key properties of (2R,4R)-2-(aminomethyl)-5-cyclopropyl-4-methylpentanoic acid?
(2R,4R)-2-(aminomethyl)-5-cyclopropyl-4-methylpentanoic 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 (2R,4R)-2-(aminomethyl)-5-cyclopropyl-4-methylpentanoic acid is sourced from PubChem (CID 68872167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).