N-[(2S)-1-amino-4-hydroxy-1-oxobutan-2-yl]benzamide

C11H14N2O3 — CID 121216577

IUPACN-[(2S)-1-amino-4-hydroxy-1-oxobutan-2-yl]benzamide
SMILESNC(=O)[C@H](CCO)NC(=O)c1ccccc1
InChIInChI=1S/C11H14N2O3/c12-10(15)9(6-7-14)13-11(16)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H2,12,15)(H,13,16)/t9-/m0/s1
InChIKeyIGJUDJVYOCFQIB-VIFPVBQESA-N
MW222.24 g/mol
LogP-0.35
Rot. Bonds5

About N-[(2S)-1-amino-4-hydroxy-1-oxobutan-2-yl]benzamide

N-[(2S)-1-amino-4-hydroxy-1-oxobutan-2-yl]benzamide (PubChem CID 121216577) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-hydroxy-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-hydroxy-1-oxobutan-2-yl]benzamide
PubChem CID121216577
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN-[(2S)-1-amino-4-hydroxy-1-oxobutan-2-yl]benzamide
SMILESNC(=O)[C@H](CCO)NC(=O)c1ccccc1
InChIInChI=1S/C11H14N2O3/c12-10(15)9(6-7-14)13-11(16)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H2,12,15)(H,13,16)/t9-/m0/s1
InChIKeyIGJUDJVYOCFQIB-VIFPVBQESA-N
XLogP-0.35
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 6993422
N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide;hydrate;hydrochloride
CID 2724353
N-[1-amino-6-(benzenesulfonyl)-1-oxohexan-2-yl]benzamide
CID 70019861
N-[(2S)-1-amino-5-[[amino-(chloroamino)methylidene]amino]-1-oxopentan-2-yl]benzamide
CID 71716214
N-[(2S)-1-amino-6-[(1-amino-2-chloroethylidene)amino]-1-oxohexan-2-yl]benzamide
CID 166634442
N-[(2S)-1-amino-5-[[(E)-1-amino-2-chloroethenyl]amino]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 154706012
N-[1-amino-5-[[(E)-1-amino-2-chloroethenyl]amino]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 154703255
4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid
CID 61243635
4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid
CID 61243079
(2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid
CID 107823375
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
4-(1-amino-3-oxo-1-phenylbut-1-en-2-yl)-N-[(2R)-4-hydroxybutan-2-yl]benzamide
CID 149301730

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-hydroxy-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-amino-4-hydroxy-1-oxobutan-2-yl]benzamide (CID 121216577) is N-[(2S)-1-amino-4-hydroxy-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-amino-4-hydroxy-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-amino-4-hydroxy-1-oxobutan-2-yl]benzamide is NC(=O)[C@H](CCO)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-1-amino-4-hydroxy-1-oxobutan-2-yl]benzamide?
The InChIKey is IGJUDJVYOCFQIB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2O3/c12-10(15)9(6-7-14)13-11(16)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H2,12,15)(H,13,16)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-hydroxy-1-oxobutan-2-yl]benzamide?
N-[(2S)-1-amino-4-hydroxy-1-oxobutan-2-yl]benzamide has a molecular weight of 222.24 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-4-hydroxy-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 121216577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).