acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate

C12H18N2O4 — CID 172866706

IUPACacetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate
SMILESCC(=O)O.NC(=O)OC[C@H](N)Cc1ccccc1
InChIInChI=1S/C10H14N2O2.C2H4O2/c11-9(7-14-10(12)13)6-8-4-2-1-3-5-8;1-2(3)4/h1-5,9H,6-7,11H2,(H2,12,13);1H3,(H,3,4)/t9-;/m1./s1
InChIKeyAKHLEMAWAHKGFR-SBSPUUFOSA-N
MW254.29 g/mol
LogP0.74
Rot. Bonds4

About acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate

acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate (PubChem CID 172866706) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate.

Molecular Properties

Compound Nameacetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate
PubChem CID172866706
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Nameacetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate
SMILESCC(=O)O.NC(=O)OC[C@H](N)Cc1ccccc1
InChIInChI=1S/C10H14N2O2.C2H4O2/c11-9(7-14-10(12)13)6-8-4-2-1-3-5-8;1-2(3)4/h1-5,9H,6-7,11H2,(H2,12,13);1H3,(H,3,4)/t9-;/m1./s1
InChIKeyAKHLEMAWAHKGFR-SBSPUUFOSA-N
XLogP0.74
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-amino-3-phenylpropyl] acetate;[(2S)-2-amino-3-phenylpropyl] carbamate
CID 160831000
(2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid
CID 175923615
[(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) N-(2-amino-2-oxoethyl)carbamate
CID 140687105
(2-amino-3-phenylpropoxy)carbonylazanium
CID 152772339
(2-amino-3-phenylpropyl) 2,2-dimethylpropanoate
CID 20769130
[(2S)-2-amino-3-(4-fluorophenyl)propyl] carbamate;hydrochloride
CID 70099504
(2-benzyl-3-methylbutyl) carbamate
CID 67758924
[(2R)-2-acetamido-3-phenylpropyl] carbamate
CID 138394001
[(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate
CID 70099288
[(2S)-2-(methylamino)-3-phenylpropyl] carbamate
CID 118340486

Frequently Asked Questions

What is the IUPAC name of acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate?
The IUPAC name of acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate (CID 172866706) is acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate.
What is the SMILES notation for acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate?
The canonical SMILES for acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate is CC(=O)O.NC(=O)OC[C@H](N)Cc1ccccc1.
What is the InChIKey of acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate?
The InChIKey is AKHLEMAWAHKGFR-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H14N2O2.C2H4O2/c11-9(7-14-10(12)13)6-8-4-2-1-3-5-8;1-2(3)4/h1-5,9H,6-7,11H2,(H2,12,13);1H3,(H,3,4)/t9-;/m1./s1.
What are the key properties of acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate?
acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate has a molecular weight of 254.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate is sourced from PubChem (CID 172866706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).