[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]carbamic acid

C11H16N2O4 — CID 174855918

IUPAC[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]carbamic acid
SMILESCOc1ccc(C(O)C(C)NNC(=O)O)cc1
InChIInChI=1S/C11H16N2O4/c1-7(12-13-11(15)16)10(14)8-3-5-9(17-2)6-4-8/h3-7,10,12-14H,1-2H3,(H,15,16)
InChIKeyLAFXMXQZYOPLLE-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.89
Rot. Bonds5

About [[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]carbamic acid

[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]carbamic acid (PubChem CID 174855918) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is [[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]carbamic acid.

Molecular Properties

Compound Name[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]carbamic acid
PubChem CID174855918
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]carbamic acid
SMILESCOc1ccc(C(O)C(C)NNC(=O)O)cc1
InChIInChI=1S/C11H16N2O4/c1-7(12-13-11(15)16)10(14)8-3-5-9(17-2)6-4-8/h3-7,10,12-14H,1-2H3,(H,15,16)
InChIKeyLAFXMXQZYOPLLE-UHFFFAOYSA-N
XLogP0.89
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol
CID 118706367
methyl (2S,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanoate
CID 11042413
(3R,4R)-4-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 129403910
methyl 2-[hydroxy-(4-methoxyphenyl)methyl]-3-methylbutanoate
CID 55071608
(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 10965805
(3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 140981337
(1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol
CID 102174473
2-chloro-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-4,5-dimethylbenzamide
CID 110028188
methyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate
CID 105485252
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-2,4,4-trimethylpentan-3-one
CID 13299699
N-[(1R,2S)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide
CID 97071689

Frequently Asked Questions

What is the IUPAC name of [[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]carbamic acid?
The IUPAC name of [[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]carbamic acid (CID 174855918) is [[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]carbamic acid.
What is the SMILES notation for [[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]carbamic acid?
The canonical SMILES for [[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]carbamic acid is COc1ccc(C(O)C(C)NNC(=O)O)cc1.
What is the InChIKey of [[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]carbamic acid?
The InChIKey is LAFXMXQZYOPLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(12-13-11(15)16)10(14)8-3-5-9(17-2)6-4-8/h3-7,10,12-14H,1-2H3,(H,15,16).
What are the key properties of [[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]carbamic acid?
[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]carbamic acid has a molecular weight of 240.26 g/mol, XLogP of 0.89, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]carbamic acid is sourced from PubChem (CID 174855918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).