methyl (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoate

C16H29NO4 — CID 11277970

IUPACmethyl (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoate
SMILESCCCC[C@H](NC(=O)OCC1(CC)CCCC1)C(=O)OC
InChIInChI=1S/C16H29NO4/c1-4-6-9-13(14(18)20-3)17-15(19)21-12-16(5-2)10-7-8-11-16/h13H,4-12H2,1-3H3,(H,17,19)/t13-/m0/s1
InChIKeyAKQRQLGNNIDEFJ-ZDUSSCGKSA-N
MW299.41 g/mol
LogP3.41
Rot. Bonds8

About methyl (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoate

methyl (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoate (PubChem CID 11277970) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is methyl (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoate
PubChem CID11277970
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Namemethyl (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoate
SMILESCCCC[C@H](NC(=O)OCC1(CC)CCCC1)C(=O)OC
InChIInChI=1S/C16H29NO4/c1-4-6-9-13(14(18)20-3)17-15(19)21-12-16(5-2)10-7-8-11-16/h13H,4-12H2,1-3H3,(H,17,19)/t13-/m0/s1
InChIKeyAKQRQLGNNIDEFJ-ZDUSSCGKSA-N
XLogP3.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoic acid
CID 11426158
(1-ethylcyclopentyl)methyl N-[(3S)-1-[(2-methylpyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate
CID 11269375
ethyl 2-(methoxycarbonylamino)hexanoate
CID 91718664
methyl 2-[(2-ethoxyacetyl)amino]hexanoate
CID 156704920
methyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]hexanoate
CID 103249119
propyl 2-(methoxycarbonylamino)hexanoate
CID 91718656
5-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-3-[2-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-5-oxopentanoic acid
CID 135210774
methyl 2-acetamidooctanoate
CID 6429509
methyl (2R)-2-(butoxycarbonylamino)butanoate
CID 137445344
methyl N-[(3R)-2-oxoheptan-3-yl]carbamate
CID 58257437
methyl (2S)-2-[[(2R)-2-(phenylmethoxycarbonylamino)hexanoyl]amino]hexanoate
CID 91746288
methyl 2-(butoxycarbonylamino)-3-hydroxypropanoate
CID 87374830

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoate?
The IUPAC name of methyl (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoate (CID 11277970) is methyl (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoate.
What is the SMILES notation for methyl (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoate?
The canonical SMILES for methyl (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoate is CCCC[C@H](NC(=O)OCC1(CC)CCCC1)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoate?
The InChIKey is AKQRQLGNNIDEFJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H29NO4/c1-4-6-9-13(14(18)20-3)17-15(19)21-12-16(5-2)10-7-8-11-16/h13H,4-12H2,1-3H3,(H,17,19)/t13-/m0/s1.
What are the key properties of methyl (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoate?
methyl (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoate has a molecular weight of 299.41 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoate is sourced from PubChem (CID 11277970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).