methyl 2-[[(2S)-2-amino-4-methylpentanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

C14H26N2O5 — CID 175356927

IUPACmethyl 2-[[(2S)-2-amino-4-methylpentanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCOC(=O)CN(C(=O)OC(C)(C)C)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C14H26N2O5/c1-9(2)7-10(15)12(18)16(8-11(17)20-6)13(19)21-14(3,4)5/h9-10H,7-8,15H2,1-6H3/t10-/m0/s1
InChIKeyHDNDJHAROVMYIB-JTQLQIEISA-N
MW302.37 g/mol
LogP1.30
Rot. Bonds5

About methyl 2-[[(2S)-2-amino-4-methylpentanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

methyl 2-[[(2S)-2-amino-4-methylpentanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (PubChem CID 175356927) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is methyl 2-[[(2S)-2-amino-4-methylpentanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-2-amino-4-methylpentanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
PubChem CID175356927
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Namemethyl 2-[[(2S)-2-amino-4-methylpentanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCOC(=O)CN(C(=O)OC(C)(C)C)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C14H26N2O5/c1-9(2)7-10(15)12(18)16(8-11(17)20-6)13(19)21-14(3,4)5/h9-10H,7-8,15H2,1-6H3/t10-/m0/s1
InChIKeyHDNDJHAROVMYIB-JTQLQIEISA-N
XLogP1.30
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[(2S)-2-amino-4-methylpentanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate with MolForge

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Related Compounds

tert-butyl N-[(2S)-2-amino-4-methylpentanoyl]-N-methylcarbamate
CID 154001260
methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate
CID 104903114
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane
CID 142813889
1-O-tert-butyl 4-O-methyl (2R)-2-aminobutanedioate
CID 14352279
2-[(2-amino-4-methylpentanoyl)-(2-aminopropanoyl)amino]acetic acid
CID 175582504
tert-butyl (3S)-3-amino-4-(2-methylpropylamino)-4-oxobutanoate
CID 54442408
methyl 4-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]butanoate
CID 93371964
tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate
CID 87525206
5-O-tert-butyl 1-O-methyl (3R)-3-(2-methylpropyl)pentanedioate
CID 86625413
methyl (2S)-2-[methoxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoate
CID 139916813
ethane;methyl 2-[(2-amino-3,3-dimethylbutanoyl)-methylamino]acetate;propane
CID 143023750
ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]-propan-2-ylamino]acetate
CID 61158746

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-2-amino-4-methylpentanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The IUPAC name of methyl 2-[[(2S)-2-amino-4-methylpentanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (CID 175356927) is methyl 2-[[(2S)-2-amino-4-methylpentanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(2S)-2-amino-4-methylpentanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[(2S)-2-amino-4-methylpentanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is COC(=O)CN(C(=O)OC(C)(C)C)C(=O)[C@@H](N)CC(C)C.
What is the InChIKey of methyl 2-[[(2S)-2-amino-4-methylpentanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The InChIKey is HDNDJHAROVMYIB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H26N2O5/c1-9(2)7-10(15)12(18)16(8-11(17)20-6)13(19)21-14(3,4)5/h9-10H,7-8,15H2,1-6H3/t10-/m0/s1.
What are the key properties of methyl 2-[[(2S)-2-amino-4-methylpentanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
methyl 2-[[(2S)-2-amino-4-methylpentanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate has a molecular weight of 302.37 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-2-amino-4-methylpentanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is sourced from PubChem (CID 175356927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).