(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylpropyl)amino]propanoic acid

C17H25NO4 — CID 156681988

IUPAC(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylpropyl)amino]propanoic acid
SMILESCC(CN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)O)c1ccccc1
InChIInChI=1S/C17H25NO4/c1-12(14-9-7-6-8-10-14)11-18(13(2)15(19)20)16(21)22-17(3,4)5/h6-10,12-13H,11H2,1-5H3,(H,19,20)/t12?,13-/m0/s1
InChIKeyAQUWAERJJPAYRK-ABLWVSNPSA-N
MW307.39 g/mol
LogP3.50
Rot. Bonds5

About (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylpropyl)amino]propanoic acid

(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylpropyl)amino]propanoic acid (PubChem CID 156681988) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylpropyl)amino]propanoic acid
PubChem CID156681988
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylpropyl)amino]propanoic acid
SMILESCC(CN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)O)c1ccccc1
InChIInChI=1S/C17H25NO4/c1-12(14-9-7-6-8-10-14)11-18(13(2)15(19)20)16(21)22-17(3,4)5/h6-10,12-13H,11H2,1-5H3,(H,19,20)/t12?,13-/m0/s1
InChIKeyAQUWAERJJPAYRK-ABLWVSNPSA-N
XLogP3.50
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylpropyl)amino]propanoic 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

(2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-2-phenylpropyl]amino]propanoyl]amino]propanoic acid
CID 163856742
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 53399063
2-[(2-methylpropan-2-yl)oxycarbonyl-(thiophen-2-ylmethyl)amino]propanoic acid
CID 82045233
2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid
CID 172791429
tert-butyl N-but-3-ynyl-N-(1-phenylethyl)carbamate
CID 132546673
tert-butyl N-benzyl-N-(3-oxobutan-2-yl)carbamate
CID 130815225
tert-butyl N,N-bis(3-oxo-1-phenylpropyl)carbamate
CID 87661307
tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245596
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino]propanoic acid
CID 11218414
tert-butyl N-[2-(3-hydroxypropylsulfanyl)ethyl]-N-[(2R)-2-phenylpropyl]carbamate
CID 86633795
tert-butyl N-[2-(3-oxopropylsulfanyl)ethyl]-N-[(2R)-2-phenylpropyl]carbamate
CID 86633796
tert-butyl N-(2-amino-2-phenylethyl)-N-methylcarbamate
CID 67066123

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylpropyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylpropyl)amino]propanoic acid (CID 156681988) is (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylpropyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylpropyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylpropyl)amino]propanoic acid is CC(CN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylpropyl)amino]propanoic acid?
The InChIKey is AQUWAERJJPAYRK-ABLWVSNPSA-N. The full InChI is InChI=1S/C17H25NO4/c1-12(14-9-7-6-8-10-14)11-18(13(2)15(19)20)16(21)22-17(3,4)5/h6-10,12-13H,11H2,1-5H3,(H,19,20)/t12?,13-/m0/s1.
What are the key properties of (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylpropyl)amino]propanoic acid?
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylpropyl)amino]propanoic acid has a molecular weight of 307.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylpropyl)amino]propanoic acid is sourced from PubChem (CID 156681988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).