(2R)-3-methoxy-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-3-phenylpropanoic acid

C19H30N2O5 — CID 174463227

IUPAC(2R)-3-methoxy-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-3-phenylpropanoic acid
SMILESCOC(c1ccccc1)[C@@H](NCC(C)(C)NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C19H30N2O5/c1-18(2,3)26-17(24)21-19(4,5)12-20-14(16(22)23)15(25-6)13-10-8-7-9-11-13/h7-11,14-15,20H,12H2,1-6H3,(H,21,24)(H,22,23)/t14-,15?/m1/s1
InChIKeyFLMCSVOFGVOFQB-GICMACPYSA-N
MW366.46 g/mol
LogP2.72
Rot. Bonds8

About (2R)-3-methoxy-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-3-phenylpropanoic acid

(2R)-3-methoxy-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-3-phenylpropanoic acid (PubChem CID 174463227) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is (2R)-3-methoxy-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-methoxy-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-3-phenylpropanoic acid
PubChem CID174463227
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Name(2R)-3-methoxy-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-3-phenylpropanoic acid
SMILESCOC(c1ccccc1)[C@@H](NCC(C)(C)NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C19H30N2O5/c1-18(2,3)26-17(24)21-19(4,5)12-20-14(16(22)23)15(25-6)13-10-8-7-9-11-13/h7-11,14-15,20H,12H2,1-6H3,(H,21,24)(H,22,23)/t14-,15?/m1/s1
InChIKeyFLMCSVOFGVOFQB-GICMACPYSA-N
XLogP2.72
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-3-methoxy-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-3-phenylpropanoic acid with MolForge

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Related Compounds

2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-5-phenylpentanoic acid
CID 174469456
tert-butyl N-(1-methoxy-1-phenylhex-5-yn-2-yl)carbamate
CID 123583307
tert-butyl N-[1-(1,1-dimethoxypropan-2-ylamino)-2-methylpropan-2-yl]carbamate
CID 107249962
tert-butyl N-[1-[1-(3-cyanophenyl)ethylamino]-2-methylpropan-2-yl]carbamate
CID 103921714
(2S,3S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 67719193
(2S,3R)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 22874185
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56979796
tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate
CID 141256411
(2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-phenylpentanoic acid
CID 71060534
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]amino]butanoic acid
CID 107241106
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid;hydrochloride
CID 13017724
tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate
CID 74220322

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methoxy-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-3-methoxy-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-3-phenylpropanoic acid (CID 174463227) is (2R)-3-methoxy-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-3-methoxy-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-3-methoxy-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-3-phenylpropanoic acid is COC(c1ccccc1)[C@@H](NCC(C)(C)NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-3-methoxy-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-3-phenylpropanoic acid?
The InChIKey is FLMCSVOFGVOFQB-GICMACPYSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-18(2,3)26-17(24)21-19(4,5)12-20-14(16(22)23)15(25-6)13-10-8-7-9-11-13/h7-11,14-15,20H,12H2,1-6H3,(H,21,24)(H,22,23)/t14-,15?/m1/s1.
What are the key properties of (2R)-3-methoxy-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-3-phenylpropanoic acid?
(2R)-3-methoxy-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-3-phenylpropanoic acid has a molecular weight of 366.46 g/mol, XLogP of 2.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methoxy-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 174463227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).