(4S)-4-amino-4-(6-amino-3-pyridinyl)butanoic acid

C9H13N3O2 — CID 55269109

IUPAC(4S)-4-amino-4-(6-amino-3-pyridinyl)butanoic acid
SMILESNc1ccc([C@@H](N)CCC(=O)O)cn1
InChIInChI=1S/C9H13N3O2/c10-7(2-4-9(13)14)6-1-3-8(11)12-5-6/h1,3,5,7H,2,4,10H2,(H2,11,12)(H,13,14)/t7-/m0/s1
InChIKeyKZXMFFIUBDMCTC-ZETCQYMHSA-N
MW195.22 g/mol
LogP0.53
Rot. Bonds4

About (4S)-4-amino-4-(6-amino-3-pyridinyl)butanoic acid

(4S)-4-amino-4-(6-amino-3-pyridinyl)butanoic acid (PubChem CID 55269109) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (4S)-4-amino-4-(6-amino-3-pyridinyl)butanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-4-(6-amino-3-pyridinyl)butanoic acid
PubChem CID55269109
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(4S)-4-amino-4-(6-amino-3-pyridinyl)butanoic acid
SMILESNc1ccc([C@@H](N)CCC(=O)O)cn1
InChIInChI=1S/C9H13N3O2/c10-7(2-4-9(13)14)6-1-3-8(11)12-5-6/h1,3,5,7H,2,4,10H2,(H2,11,12)(H,13,14)/t7-/m0/s1
InChIKeyKZXMFFIUBDMCTC-ZETCQYMHSA-N
XLogP0.53
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-amino-4-(6-fluoro-3-pyridinyl)butanoic acid
CID 55265570
5-[(1S)-1-aminopropyl]pyridin-2-amine
CID 124502752
(4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride
CID 171338117
4-amino-4-(5-amino-3-pyridinyl)butanoic acid
CID 55269479
(4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid
CID 28744369
4-amino-4-[4-(triazol-2-yl)phenyl]butanoic acid
CID 117367766
4-amino-4-(3-aminophenyl)butanoic acid
CID 55296717
4-amino-4-quinolin-6-ylbutanoic acid
CID 84693454
4-amino-4-(4-methoxyphenyl)butanoic acid;hydrochloride
CID 71757574
4-amino-4-[4-(2,2-difluoroethyl)phenyl]butanoic acid
CID 117359457
(4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid
CID 28744353
3-(6-amino-3-pyridinyl)pentane-1,5-diol
CID 118045558

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-4-(6-amino-3-pyridinyl)butanoic acid?
The IUPAC name of (4S)-4-amino-4-(6-amino-3-pyridinyl)butanoic acid (CID 55269109) is (4S)-4-amino-4-(6-amino-3-pyridinyl)butanoic acid.
What is the SMILES notation for (4S)-4-amino-4-(6-amino-3-pyridinyl)butanoic acid?
The canonical SMILES for (4S)-4-amino-4-(6-amino-3-pyridinyl)butanoic acid is Nc1ccc([C@@H](N)CCC(=O)O)cn1.
What is the InChIKey of (4S)-4-amino-4-(6-amino-3-pyridinyl)butanoic acid?
The InChIKey is KZXMFFIUBDMCTC-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-7(2-4-9(13)14)6-1-3-8(11)12-5-6/h1,3,5,7H,2,4,10H2,(H2,11,12)(H,13,14)/t7-/m0/s1.
What are the key properties of (4S)-4-amino-4-(6-amino-3-pyridinyl)butanoic acid?
(4S)-4-amino-4-(6-amino-3-pyridinyl)butanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-4-(6-amino-3-pyridinyl)butanoic acid is sourced from PubChem (CID 55269109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).