(2S)-2-(2-methylpentylamino)propanoic acid

C9H19NO2 — CID 83195105

IUPAC(2S)-2-(2-methylpentylamino)propanoic acid
SMILESCCCC(C)CN[C@@H](C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-4-5-7(2)6-10-8(3)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)/t7?,8-/m0/s1
InChIKeyUCBJOTVUVJUNTH-MQWKRIRWSA-N
MW173.26 g/mol
LogP1.49
Rot. Bonds6

About (2S)-2-(2-methylpentylamino)propanoic acid

(2S)-2-(2-methylpentylamino)propanoic acid (PubChem CID 83195105) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S)-2-(2-methylpentylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-methylpentylamino)propanoic acid
PubChem CID83195105
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S)-2-(2-methylpentylamino)propanoic acid
SMILESCCCC(C)CN[C@@H](C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-4-5-7(2)6-10-8(3)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)/t7?,8-/m0/s1
InChIKeyUCBJOTVUVJUNTH-MQWKRIRWSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylpentylamino)propanoic acid?
The IUPAC name of (2S)-2-(2-methylpentylamino)propanoic acid (CID 83195105) is (2S)-2-(2-methylpentylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(2-methylpentylamino)propanoic acid?
The canonical SMILES for (2S)-2-(2-methylpentylamino)propanoic acid is CCCC(C)CN[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(2-methylpentylamino)propanoic acid?
The InChIKey is UCBJOTVUVJUNTH-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-5-7(2)6-10-8(3)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-(2-methylpentylamino)propanoic acid?
(2S)-2-(2-methylpentylamino)propanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylpentylamino)propanoic acid is sourced from PubChem (CID 83195105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).