(2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoic acid

C15H27NO4 — CID 11426158

IUPAC(2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoic acid
SMILESCCCC[C@H](NC(=O)OCC1(CC)CCCC1)C(=O)O
InChIInChI=1S/C15H27NO4/c1-3-5-8-12(13(17)18)16-14(19)20-11-15(4-2)9-6-7-10-15/h12H,3-11H2,1-2H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKeyQQGYQPFCFWLKIE-LBPRGKRZSA-N
MW285.38 g/mol
LogP3.33
Rot. Bonds8

About (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoic acid

(2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoic acid (PubChem CID 11426158) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoic acid
PubChem CID11426158
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name(2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoic acid
SMILESCCCC[C@H](NC(=O)OCC1(CC)CCCC1)C(=O)O
InChIInChI=1S/C15H27NO4/c1-3-5-8-12(13(17)18)16-14(19)20-11-15(4-2)9-6-7-10-15/h12H,3-11H2,1-2H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKeyQQGYQPFCFWLKIE-LBPRGKRZSA-N
XLogP3.33
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoate
CID 11277970
(1-ethylcyclopentyl)methyl N-[(3S)-1-[(2-methylpyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate
CID 11269375
2-(butoxycarbonylamino)octanoic acid
CID 87548518
(2S)-2-(butoxycarbonylamino)-4-methylsulfanylbutanoic acid
CID 54317613
2-[(4-amino-3-methoxybutanoyl)amino]hexanoic acid
CID 103155410
(2S)-2-(3-aminopropanoylamino)hexanoic acid
CID 22212413
(2S)-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]hexanoic acid
CID 107146456
2-[(2-ethylpyrrolidine-2-carbonyl)amino]hexanoic acid
CID 83072051
(2S)-2-(3-oxobutanoylamino)hexanoic acid
CID 119089590
(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794
2-[(1-hydroxycyclohexyl)methylamino]hexanoic acid
CID 103253670
2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid
CID 106112321

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoic acid?
The IUPAC name of (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoic acid (CID 11426158) is (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoic acid?
The canonical SMILES for (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoic acid is CCCC[C@H](NC(=O)OCC1(CC)CCCC1)C(=O)O.
What is the InChIKey of (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoic acid?
The InChIKey is QQGYQPFCFWLKIE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27NO4/c1-3-5-8-12(13(17)18)16-14(19)20-11-15(4-2)9-6-7-10-15/h12H,3-11H2,1-2H3,(H,16,19)(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoic acid?
(2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoic acid has a molecular weight of 285.38 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-ethylcyclopentyl)methoxycarbonylamino]hexanoic acid is sourced from PubChem (CID 11426158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).