(2S)-2-amino-4-methylpentanoic acid;(2S)-2-amino-5-oxo-5-phenylmethoxypentanoic acid

C18H28N2O6 — CID 22821647

IUPAC(2S)-2-amino-4-methylpentanoic acid;(2S)-2-amino-5-oxo-5-phenylmethoxypentanoic acid
SMILESCC(C)C[C@H](N)C(=O)O.N[C@@H](CCC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C12H15NO4.C6H13NO2/c13-10(12(15)16)6-7-11(14)17-8-9-4-2-1-3-5-9;1-4(2)3-5(7)6(8)9/h1-5,10H,6-8,13H2,(H,15,16);4-5H,3,7H2,1-2H3,(H,8,9)/t10-;5-/m00/s1
InChIKeyWBLMXCMIFMRDHG-PTKYJSHISA-N
MW368.43 g/mol
LogP1.37
Rot. Bonds9

About (2S)-2-amino-4-methylpentanoic acid;(2S)-2-amino-5-oxo-5-phenylmethoxypentanoic acid

(2S)-2-amino-4-methylpentanoic acid;(2S)-2-amino-5-oxo-5-phenylmethoxypentanoic acid (PubChem CID 22821647) has the molecular formula C18H28N2O6 and a molecular weight of 368.43 g/mol. Its IUPAC name is (2S)-2-amino-4-methylpentanoic acid;(2S)-2-amino-5-oxo-5-phenylmethoxypentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-methylpentanoic acid;(2S)-2-amino-5-oxo-5-phenylmethoxypentanoic acid
PubChem CID22821647
Molecular FormulaC18H28N2O6
Molecular Weight368.43 g/mol
Exact Mass368.19
IUPAC Name(2S)-2-amino-4-methylpentanoic acid;(2S)-2-amino-5-oxo-5-phenylmethoxypentanoic acid
SMILESCC(C)C[C@H](N)C(=O)O.N[C@@H](CCC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C12H15NO4.C6H13NO2/c13-10(12(15)16)6-7-11(14)17-8-9-4-2-1-3-5-9;1-4(2)3-5(7)6(8)9/h1-5,10H,6-8,13H2,(H,15,16);4-5H,3,7H2,1-2H3,(H,8,9)/t10-;5-/m00/s1
InChIKeyWBLMXCMIFMRDHG-PTKYJSHISA-N
XLogP1.37
TPSA152.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

L-Glutamic acid, 5-(phenylmethyl) ester
CID 122337
L-Glutamic acid, N-((phenylmethoxy)carbonyl)-
CID 70866
N-alpha-t-Butyloxycarbonyl-D-glutamic acid benzyl ester
CID 7010515
N-[(Benzyloxy)carbonyl]glutamic acid
CID 219352
(S)-Dibenzyl 2-aminopentanedioate hydrochloride
CID 199613
5-(Benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}-5-oxopentanoic acid
CID 295483
L-Glutamic acid, N-((1,1-dimethylethoxy)carbonyl)-, 5-(phenylmethyl) ester
CID 83589
Boc-D-glutamic acid 1-benzyl ester
CID 3255276
(2R)-2-(((benzyloxy)carbonyl)amino)pentanedioic acid
CID 1607568
5-(Benzyloxy)-2-(((benzyloxy)carbonyl)amino)-5-oxopentanoic acid
CID 297875
benzyl (2S)-2-amino-3-methylbutanoate
CID 6950584
5-tert-Butyl N-((phenylmethoxy)carbonyl)-L-glutamate
CID 107472

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylpentanoic acid;(2S)-2-amino-5-oxo-5-phenylmethoxypentanoic acid?
The IUPAC name of (2S)-2-amino-4-methylpentanoic acid;(2S)-2-amino-5-oxo-5-phenylmethoxypentanoic acid (CID 22821647) is (2S)-2-amino-4-methylpentanoic acid;(2S)-2-amino-5-oxo-5-phenylmethoxypentanoic acid.
What is the SMILES notation for (2S)-2-amino-4-methylpentanoic acid;(2S)-2-amino-5-oxo-5-phenylmethoxypentanoic acid?
The canonical SMILES for (2S)-2-amino-4-methylpentanoic acid;(2S)-2-amino-5-oxo-5-phenylmethoxypentanoic acid is CC(C)C[C@H](N)C(=O)O.N[C@@H](CCC(=O)OCc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-methylpentanoic acid;(2S)-2-amino-5-oxo-5-phenylmethoxypentanoic acid?
The InChIKey is WBLMXCMIFMRDHG-PTKYJSHISA-N. The full InChI is InChI=1S/C12H15NO4.C6H13NO2/c13-10(12(15)16)6-7-11(14)17-8-9-4-2-1-3-5-9;1-4(2)3-5(7)6(8)9/h1-5,10H,6-8,13H2,(H,15,16);4-5H,3,7H2,1-2H3,(H,8,9)/t10-;5-/m00/s1.
What are the key properties of (2S)-2-amino-4-methylpentanoic acid;(2S)-2-amino-5-oxo-5-phenylmethoxypentanoic acid?
(2S)-2-amino-4-methylpentanoic acid;(2S)-2-amino-5-oxo-5-phenylmethoxypentanoic acid has a molecular weight of 368.43 g/mol, XLogP of 1.37, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylpentanoic acid;(2S)-2-amino-5-oxo-5-phenylmethoxypentanoic acid is sourced from PubChem (CID 22821647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).