(2S)-3-amino-N-hydroxy-2-[3-(2-hydroxyphenyl)propanoylamino]propanamide

C12H17N3O4 — CID 90735772

IUPAC(2S)-3-amino-N-hydroxy-2-[3-(2-hydroxyphenyl)propanoylamino]propanamide
SMILESNC[C@H](NC(=O)CCc1ccccc1O)C(=O)NO
InChIInChI=1S/C12H17N3O4/c13-7-9(12(18)15-19)14-11(17)6-5-8-3-1-2-4-10(8)16/h1-4,9,16,19H,5-7,13H2,(H,14,17)(H,15,18)/t9-/m0/s1
InChIKeyAMOIHUKCGRLCAV-VIFPVBQESA-N
MW267.28 g/mol
LogP-0.73
Rot. Bonds6

About (2S)-3-amino-N-hydroxy-2-[3-(2-hydroxyphenyl)propanoylamino]propanamide

(2S)-3-amino-N-hydroxy-2-[3-(2-hydroxyphenyl)propanoylamino]propanamide (PubChem CID 90735772) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2S)-3-amino-N-hydroxy-2-[3-(2-hydroxyphenyl)propanoylamino]propanamide.

Molecular Properties

Compound Name(2S)-3-amino-N-hydroxy-2-[3-(2-hydroxyphenyl)propanoylamino]propanamide
PubChem CID90735772
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name(2S)-3-amino-N-hydroxy-2-[3-(2-hydroxyphenyl)propanoylamino]propanamide
SMILESNC[C@H](NC(=O)CCc1ccccc1O)C(=O)NO
InChIInChI=1S/C12H17N3O4/c13-7-9(12(18)15-19)14-11(17)6-5-8-3-1-2-4-10(8)16/h1-4,9,16,19H,5-7,13H2,(H,14,17)(H,15,18)/t9-/m0/s1
InChIKeyAMOIHUKCGRLCAV-VIFPVBQESA-N
XLogP-0.73
TPSA124.68 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[3-(2-hydroxyphenyl)propanoylamino]propanoate
CID 60712354
2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid
CID 43241188
N-[4-[[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]-4-phenylbenzamide
CID 87836455
(2S)-2-[3-(2-hydroxyphenyl)propanoylamino]-3-methylbutanoic acid
CID 61137608
N-[(2S)-1-cyanopropan-2-yl]-3-(2-hydroxyphenyl)propanamide
CID 94817990
(2R)-2-[3-(2-aminophenyl)propanoylamino]-4-methylpentanoic acid
CID 107273040
N-(2,2-diphenylethyl)-3-(2-hydroxyphenyl)propanamide
CID 38638784
N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide
CID 110833187
N-[3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]-4-phenylbutanamide
CID 91417454
N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide
CID 110833172
methyl 2-[3-(2-aminophenyl)propanoylamino]-4-methylpentanoate;hydrochloride
CID 120609137
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide
CID 110909074

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-N-hydroxy-2-[3-(2-hydroxyphenyl)propanoylamino]propanamide?
The IUPAC name of (2S)-3-amino-N-hydroxy-2-[3-(2-hydroxyphenyl)propanoylamino]propanamide (CID 90735772) is (2S)-3-amino-N-hydroxy-2-[3-(2-hydroxyphenyl)propanoylamino]propanamide.
What is the SMILES notation for (2S)-3-amino-N-hydroxy-2-[3-(2-hydroxyphenyl)propanoylamino]propanamide?
The canonical SMILES for (2S)-3-amino-N-hydroxy-2-[3-(2-hydroxyphenyl)propanoylamino]propanamide is NC[C@H](NC(=O)CCc1ccccc1O)C(=O)NO.
What is the InChIKey of (2S)-3-amino-N-hydroxy-2-[3-(2-hydroxyphenyl)propanoylamino]propanamide?
The InChIKey is AMOIHUKCGRLCAV-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N3O4/c13-7-9(12(18)15-19)14-11(17)6-5-8-3-1-2-4-10(8)16/h1-4,9,16,19H,5-7,13H2,(H,14,17)(H,15,18)/t9-/m0/s1.
What are the key properties of (2S)-3-amino-N-hydroxy-2-[3-(2-hydroxyphenyl)propanoylamino]propanamide?
(2S)-3-amino-N-hydroxy-2-[3-(2-hydroxyphenyl)propanoylamino]propanamide has a molecular weight of 267.28 g/mol, XLogP of -0.73, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-N-hydroxy-2-[3-(2-hydroxyphenyl)propanoylamino]propanamide is sourced from PubChem (CID 90735772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).