[(2S)-2-(cyclopentanecarbonylamino)-3-methoxy-3-oxopropyl] cyclopentanecarboxylate

C16H25NO5 — CID 22213950

IUPAC[(2S)-2-(cyclopentanecarbonylamino)-3-methoxy-3-oxopropyl] cyclopentanecarboxylate
SMILESCOC(=O)[C@H](COC(=O)C1CCCC1)NC(=O)C1CCCC1
InChIInChI=1S/C16H25NO5/c1-21-16(20)13(17-14(18)11-6-2-3-7-11)10-22-15(19)12-8-4-5-9-12/h11-13H,2-10H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyYSHJNHJUDHUTEV-ZDUSSCGKSA-N
MW311.38 g/mol
LogP1.57
Rot. Bonds6

About [(2S)-2-(cyclopentanecarbonylamino)-3-methoxy-3-oxopropyl] cyclopentanecarboxylate

[(2S)-2-(cyclopentanecarbonylamino)-3-methoxy-3-oxopropyl] cyclopentanecarboxylate (PubChem CID 22213950) has the molecular formula C16H25NO5 and a molecular weight of 311.38 g/mol. Its IUPAC name is [(2S)-2-(cyclopentanecarbonylamino)-3-methoxy-3-oxopropyl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[(2S)-2-(cyclopentanecarbonylamino)-3-methoxy-3-oxopropyl] cyclopentanecarboxylate
PubChem CID22213950
Molecular FormulaC16H25NO5
Molecular Weight311.38 g/mol
Exact Mass311.17
IUPAC Name[(2S)-2-(cyclopentanecarbonylamino)-3-methoxy-3-oxopropyl] cyclopentanecarboxylate
SMILESCOC(=O)[C@H](COC(=O)C1CCCC1)NC(=O)C1CCCC1
InChIInChI=1S/C16H25NO5/c1-21-16(20)13(17-14(18)11-6-2-3-7-11)10-22-15(19)12-8-4-5-9-12/h11-13H,2-10H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyYSHJNHJUDHUTEV-ZDUSSCGKSA-N
XLogP1.57
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-2-(cyclohexanecarbonylamino)propanoate
CID 166727828
2-(cycloheptanecarbonylamino)-3-methoxypropanoic acid
CID 81077203
methyl 2-(cycloheptanecarbonylamino)propanoate
CID 55208947
methyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 2476646
2-(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate
CID 71034166
2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
CID 55091388
methyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate
CID 79005645
[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] cyclohexanecarboxylate
CID 9017205
ethane;methyl cyclohexanecarboxylate
CID 90871014
N-(1-bromo-3-methoxypropan-2-yl)cycloheptanecarboxamide
CID 106184471
methyl 2-(cyclopentanecarbonylamino)-2-dimethoxyphosphorylacetate
CID 87714342
N-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide
CID 106182857

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(cyclopentanecarbonylamino)-3-methoxy-3-oxopropyl] cyclopentanecarboxylate?
The IUPAC name of [(2S)-2-(cyclopentanecarbonylamino)-3-methoxy-3-oxopropyl] cyclopentanecarboxylate (CID 22213950) is [(2S)-2-(cyclopentanecarbonylamino)-3-methoxy-3-oxopropyl] cyclopentanecarboxylate.
What is the SMILES notation for [(2S)-2-(cyclopentanecarbonylamino)-3-methoxy-3-oxopropyl] cyclopentanecarboxylate?
The canonical SMILES for [(2S)-2-(cyclopentanecarbonylamino)-3-methoxy-3-oxopropyl] cyclopentanecarboxylate is COC(=O)[C@H](COC(=O)C1CCCC1)NC(=O)C1CCCC1.
What is the InChIKey of [(2S)-2-(cyclopentanecarbonylamino)-3-methoxy-3-oxopropyl] cyclopentanecarboxylate?
The InChIKey is YSHJNHJUDHUTEV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25NO5/c1-21-16(20)13(17-14(18)11-6-2-3-7-11)10-22-15(19)12-8-4-5-9-12/h11-13H,2-10H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of [(2S)-2-(cyclopentanecarbonylamino)-3-methoxy-3-oxopropyl] cyclopentanecarboxylate?
[(2S)-2-(cyclopentanecarbonylamino)-3-methoxy-3-oxopropyl] cyclopentanecarboxylate has a molecular weight of 311.38 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(cyclopentanecarbonylamino)-3-methoxy-3-oxopropyl] cyclopentanecarboxylate is sourced from PubChem (CID 22213950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).