(2S)-2-amino-N-benzyl-3-hydroxypropanamide

C10H14N2O2 — CID 11790078

IUPAC(2S)-2-amino-N-benzyl-3-hydroxypropanamide
SMILESN[C@@H](CO)C(=O)NCc1ccccc1
InChIInChI=1S/C10H14N2O2/c11-9(7-13)10(14)12-6-8-4-2-1-3-5-8/h1-5,9,13H,6-7,11H2,(H,12,14)/t9-/m0/s1
InChIKeyWYCNJBXJCACFCM-VIFPVBQESA-N
MW194.23 g/mol
LogP-0.38
Rot. Bonds4

About (2S)-2-amino-N-benzyl-3-hydroxypropanamide

(2S)-2-amino-N-benzyl-3-hydroxypropanamide (PubChem CID 11790078) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2S)-2-amino-N-benzyl-3-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-benzyl-3-hydroxypropanamide
PubChem CID11790078
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(2S)-2-amino-N-benzyl-3-hydroxypropanamide
SMILESN[C@@H](CO)C(=O)NCc1ccccc1
InChIInChI=1S/C10H14N2O2/c11-9(7-13)10(14)12-6-8-4-2-1-3-5-8/h1-5,9,13H,6-7,11H2,(H,12,14)/t9-/m0/s1
InChIKeyWYCNJBXJCACFCM-VIFPVBQESA-N
XLogP-0.38
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-benzyl-3-hydroxypropanamide?
The IUPAC name of (2S)-2-amino-N-benzyl-3-hydroxypropanamide (CID 11790078) is (2S)-2-amino-N-benzyl-3-hydroxypropanamide.
What is the SMILES notation for (2S)-2-amino-N-benzyl-3-hydroxypropanamide?
The canonical SMILES for (2S)-2-amino-N-benzyl-3-hydroxypropanamide is N[C@@H](CO)C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-benzyl-3-hydroxypropanamide?
The InChIKey is WYCNJBXJCACFCM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O2/c11-9(7-13)10(14)12-6-8-4-2-1-3-5-8/h1-5,9,13H,6-7,11H2,(H,12,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-benzyl-3-hydroxypropanamide?
(2S)-2-amino-N-benzyl-3-hydroxypropanamide has a molecular weight of 194.23 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-benzyl-3-hydroxypropanamide is sourced from PubChem (CID 11790078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).