[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid

C11H14N2O4 — CID 77465110

IUPAC[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid
SMILESO=C(O)NC(CO)C(=O)NCc1ccccc1
InChIInChI=1S/C11H14N2O4/c14-7-9(13-11(16)17)10(15)12-6-8-4-2-1-3-5-8/h1-5,9,13-14H,6-7H2,(H,12,15)(H,16,17)
InChIKeyDEGSMQZYQPMULO-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.07
Rot. Bonds5

About [1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid

[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid (PubChem CID 77465110) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is [1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid
PubChem CID77465110
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid
SMILESO=C(O)NC(CO)C(=O)NCc1ccccc1
InChIInChI=1S/C11H14N2O4/c14-7-9(13-11(16)17)10(15)12-6-8-4-2-1-3-5-8/h1-5,9,13-14H,6-7H2,(H,12,15)(H,16,17)
InChIKeyDEGSMQZYQPMULO-UHFFFAOYSA-N
XLogP-0.07
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 53344986
phenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 23940970
(2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide
CID 6667382
(2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724767
N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 6723092
2-(benzylcarbamoylamino)-3-hydroxypropanoic acid
CID 61183567
(2R)-2-(benzylcarbamoylamino)-3-hydroxypropanoic acid
CID 80749676
3-hydroxy-N-[(3-iodophenyl)methyl]-2-[(2-phenylacetyl)amino]propanamide
CID 4990311
N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 6723660
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 6724169
(2S)-2-acetamido-N-[(2S)-1-[[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide
CID 71413189
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548

Frequently Asked Questions

What is the IUPAC name of [1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid (CID 77465110) is [1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid is O=C(O)NC(CO)C(=O)NCc1ccccc1.
What is the InChIKey of [1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid?
The InChIKey is DEGSMQZYQPMULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c14-7-9(13-11(16)17)10(15)12-6-8-4-2-1-3-5-8/h1-5,9,13-14H,6-7H2,(H,12,15)(H,16,17).
What are the key properties of [1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid?
[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid has a molecular weight of 238.24 g/mol, XLogP of -0.07, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 77465110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).