(2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid

C14H20N2O8 — CID 175923615

IUPAC(2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid
SMILESNC(=O)OCC(N)Cc1ccccc1.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C10H14N2O2.C4H6O6/c11-9(7-14-10(12)13)6-8-4-2-1-3-5-8;5-1(3(7)8)2(6)4(9)10/h1-5,9H,6-7,11H2,(H2,12,13);1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyQNGUARQHWKNMRQ-UHFFFAOYSA-N
MW344.32 g/mol
LogP-1.47
Rot. Bonds7

About (2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid

(2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid (PubChem CID 175923615) has the molecular formula C14H20N2O8 and a molecular weight of 344.32 g/mol. Its IUPAC name is (2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid.

Molecular Properties

Compound Name(2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid
PubChem CID175923615
Molecular FormulaC14H20N2O8
Molecular Weight344.32 g/mol
Exact Mass344.12
IUPAC Name(2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid
SMILESNC(=O)OCC(N)Cc1ccccc1.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C10H14N2O2.C4H6O6/c11-9(7-14-10(12)13)6-8-4-2-1-3-5-8;5-1(3(7)8)2(6)4(9)10/h1-5,9H,6-7,11H2,(H2,12,13);1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyQNGUARQHWKNMRQ-UHFFFAOYSA-N
XLogP-1.47
TPSA193.40 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.32
LogP ≤ 5-1.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze (2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic 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

acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate
CID 172866706
[(2R)-2-amino-3-phenylpropyl] acetate;[(2S)-2-amino-3-phenylpropyl] carbamate
CID 160831000
(2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate
CID 140687105
[(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate
CID 70099288
(2-amino-3-phenylpropoxy)carbonylazanium
CID 152772339
[(2S)-2-amino-3-(4-fluorophenyl)propyl] carbamate;hydrochloride
CID 70099504
[(2S)-2-amino-3-phenylpropyl] 2-methylpropanoate;hydrochloride
CID 68669537
[(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate
CID 118351614
(2-amino-3-phenylpropyl) 2,2-dimethylpropanoate
CID 20769130
1-(2-amino-3-phenylpropoxy)ethenol
CID 91268849
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2-benzyl-3-methylbutyl) carbamate
CID 67758924

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid?
The IUPAC name of (2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid (CID 175923615) is (2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid.
What is the SMILES notation for (2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid?
The canonical SMILES for (2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid is NC(=O)OCC(N)Cc1ccccc1.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of (2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid?
The InChIKey is QNGUARQHWKNMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.C4H6O6/c11-9(7-14-10(12)13)6-8-4-2-1-3-5-8;5-1(3(7)8)2(6)4(9)10/h1-5,9H,6-7,11H2,(H2,12,13);1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of (2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid?
(2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid has a molecular weight of 344.32 g/mol, XLogP of -1.47, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid is sourced from PubChem (CID 175923615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).