(3R,4R)-3-(benzylamino)-4-hydroxypentanoic acid

C12H17NO3 — CID 141366612

IUPAC(3R,4R)-3-(benzylamino)-4-hydroxypentanoic acid
SMILESC[C@@H](O)[C@@H](CC(=O)O)NCc1ccccc1
InChIInChI=1S/C12H17NO3/c1-9(14)11(7-12(15)16)13-8-10-5-3-2-4-6-10/h2-6,9,11,13-14H,7-8H2,1H3,(H,15,16)/t9-,11-/m1/s1
InChIKeyPSOMKJBXGIGKDO-MWLCHTKSSA-N
MW223.27 g/mol
LogP1.00
Rot. Bonds6

About (3R,4R)-3-(benzylamino)-4-hydroxypentanoic acid

(3R,4R)-3-(benzylamino)-4-hydroxypentanoic acid (PubChem CID 141366612) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (3R,4R)-3-(benzylamino)-4-hydroxypentanoic acid.

Molecular Properties

Compound Name(3R,4R)-3-(benzylamino)-4-hydroxypentanoic acid
PubChem CID141366612
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(3R,4R)-3-(benzylamino)-4-hydroxypentanoic acid
SMILESC[C@@H](O)[C@@H](CC(=O)O)NCc1ccccc1
InChIInChI=1S/C12H17NO3/c1-9(14)11(7-12(15)16)13-8-10-5-3-2-4-6-10/h2-6,9,11,13-14H,7-8H2,1H3,(H,15,16)/t9-,11-/m1/s1
InChIKeyPSOMKJBXGIGKDO-MWLCHTKSSA-N
XLogP1.00
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(benzylamino)-3-phenylpropanoic acid
CID 753607
methyl 3-(benzylamino)-4-methylpentanoate
CID 11333802
(2S,3R)-2-(benzylamino)-3-hydroxybutanoic acid;(2S,3R)-3-hydroxy-2-(methylamino)butanoic acid
CID 158563738
3-[[2-(benzylamino)-2-oxoethyl]amino]butanoic acid
CID 54881576
4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid
CID 83691362
2-(benzylamino)-2-hydroxyacetic acid
CID 163519207
1-(benzylamino)-1-phenylpropan-2-ol
CID 71723704
(2R)-2-(benzylamino)propanoyl chloride
CID 166639498
5-(benzylamino)hexan-3-one
CID 10998159
methyl 3-(benzylamino)butanoate
CID 13416927
(3S)-3-[(4-fluorophenyl)methylamino]butanoic acid
CID 69228997
4-(benzylamino)-3-hydroxy-5-phenylpentan-2-one
CID 18716186

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(benzylamino)-4-hydroxypentanoic acid?
The IUPAC name of (3R,4R)-3-(benzylamino)-4-hydroxypentanoic acid (CID 141366612) is (3R,4R)-3-(benzylamino)-4-hydroxypentanoic acid.
What is the SMILES notation for (3R,4R)-3-(benzylamino)-4-hydroxypentanoic acid?
The canonical SMILES for (3R,4R)-3-(benzylamino)-4-hydroxypentanoic acid is C[C@@H](O)[C@@H](CC(=O)O)NCc1ccccc1.
What is the InChIKey of (3R,4R)-3-(benzylamino)-4-hydroxypentanoic acid?
The InChIKey is PSOMKJBXGIGKDO-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(14)11(7-12(15)16)13-8-10-5-3-2-4-6-10/h2-6,9,11,13-14H,7-8H2,1H3,(H,15,16)/t9-,11-/m1/s1.
What are the key properties of (3R,4R)-3-(benzylamino)-4-hydroxypentanoic acid?
(3R,4R)-3-(benzylamino)-4-hydroxypentanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(benzylamino)-4-hydroxypentanoic acid is sourced from PubChem (CID 141366612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).