(2S)-2-amino-3-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]propanamide

C14H19N5O2 — CID 118772148

IUPAC(2S)-2-amino-3-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]propanamide
SMILESN[C@@H](CO)C(=O)NCc1nncn1CCc1ccccc1
InChIInChI=1S/C14H19N5O2/c15-12(9-20)14(21)16-8-13-18-17-10-19(13)7-6-11-4-2-1-3-5-11/h1-5,10,12,20H,6-9,15H2,(H,16,21)/t12-/m0/s1
InChIKeyBGSFRIXZKIOSQB-LBPRGKRZSA-N
MW289.34 g/mol
LogP-0.54
Rot. Bonds7

About (2S)-2-amino-3-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]propanamide

(2S)-2-amino-3-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]propanamide (PubChem CID 118772148) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]propanamide
PubChem CID118772148
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name(2S)-2-amino-3-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]propanamide
SMILESN[C@@H](CO)C(=O)NCc1nncn1CCc1ccccc1
InChIInChI=1S/C14H19N5O2/c15-12(9-20)14(21)16-8-13-18-17-10-19(13)7-6-11-4-2-1-3-5-11/h1-5,10,12,20H,6-9,15H2,(H,16,21)/t12-/m0/s1
InChIKeyBGSFRIXZKIOSQB-LBPRGKRZSA-N
XLogP-0.54
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-amino-3-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]propanamide with MolForge

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Related Compounds

(2S)-2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylbutanamide
CID 106302587
(2S)-2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119855013
N'-phenyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxamide
CID 91767891
(2S)-2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide
CID 61164027
4,4,4-trifluoro-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]butanamide
CID 118775336
(1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 155938046
3,4-bis(2-phenylethyl)-1,2,4-triazole
CID 141167257
1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]indazole-3-carboxamide
CID 131924675
N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide
CID 118780297
(3S)-1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide
CID 124679845
2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]acetamide
CID 99974084
1-(1,3-diphenylpropyl)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
CID 51122173

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]propanamide?
The IUPAC name of (2S)-2-amino-3-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]propanamide (CID 118772148) is (2S)-2-amino-3-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]propanamide is N[C@@H](CO)C(=O)NCc1nncn1CCc1ccccc1.
What is the InChIKey of (2S)-2-amino-3-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]propanamide?
The InChIKey is BGSFRIXZKIOSQB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5O2/c15-12(9-20)14(21)16-8-13-18-17-10-19(13)7-6-11-4-2-1-3-5-11/h1-5,10,12,20H,6-9,15H2,(H,16,21)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]propanamide?
(2S)-2-amino-3-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]propanamide has a molecular weight of 289.34 g/mol, XLogP of -0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]propanamide is sourced from PubChem (CID 118772148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).