methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]hexanoate

C15H30N2O4 — CID 162512524

IUPACmethyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]hexanoate
SMILESCCCC[C@H](NC[C@@H](C)NC(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C15H30N2O4/c1-7-8-9-12(13(18)20-6)16-10-11(2)17-14(19)21-15(3,4)5/h11-12,16H,7-10H2,1-6H3,(H,17,19)/t11-,12+/m1/s1
InChIKeyRGSJDGUVKUNHEP-NEPJUHHUSA-N
MW302.42 g/mol
LogP2.22
Rot. Bonds8

About methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]hexanoate

methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]hexanoate (PubChem CID 162512524) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]hexanoate
PubChem CID162512524
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Namemethyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]hexanoate
SMILESCCCC[C@H](NC[C@@H](C)NC(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C15H30N2O4/c1-7-8-9-12(13(18)20-6)16-10-11(2)17-14(19)21-15(3,4)5/h11-12,16H,7-10H2,1-6H3,(H,17,19)/t11-,12+/m1/s1
InChIKeyRGSJDGUVKUNHEP-NEPJUHHUSA-N
XLogP2.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]hexanoate with MolForge

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Related Compounds

tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533
tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate
CID 107247367
tert-butyl N-[4-(heptan-3-ylamino)butan-2-yl]carbamate
CID 103901691
methyl 2-(3,3-dimethylbutylamino)hexanoate
CID 102673049
tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate
CID 107247678
tert-butyl N-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]propan-2-yl]carbamate
CID 130574165
methyl 2-[(4-hydroxy-2-methylbutyl)amino]hexanoate
CID 103256143
methyl 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 53419542
methyl 3-butoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 134525885
4-O-butyl 1-O-methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 118190807
methyl 3-methyl-2-[[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxononanoyl]amino]butanoate
CID 134922537
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxoheptanoate
CID 59280412

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]hexanoate?
The IUPAC name of methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]hexanoate (CID 162512524) is methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]hexanoate.
What is the SMILES notation for methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]hexanoate?
The canonical SMILES for methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]hexanoate is CCCC[C@H](NC[C@@H](C)NC(=O)OC(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]hexanoate?
The InChIKey is RGSJDGUVKUNHEP-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-7-8-9-12(13(18)20-6)16-10-11(2)17-14(19)21-15(3,4)5/h11-12,16H,7-10H2,1-6H3,(H,17,19)/t11-,12+/m1/s1.
What are the key properties of methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]hexanoate?
methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]hexanoate has a molecular weight of 302.42 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]hexanoate is sourced from PubChem (CID 162512524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).