tert-butyl 2-(cyclopentanecarbonylamino)acetate

C12H21NO3 — CID 123696523

IUPACtert-butyl 2-(cyclopentanecarbonylamino)acetate
SMILESCC(C)(C)OC(=O)CNC(=O)C1CCCC1
InChIInChI=1S/C12H21NO3/c1-12(2,3)16-10(14)8-13-11(15)9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeySAYMFONIAKKRHB-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.63
Rot. Bonds3

About tert-butyl 2-(cyclopentanecarbonylamino)acetate

tert-butyl 2-(cyclopentanecarbonylamino)acetate (PubChem CID 123696523) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl 2-(cyclopentanecarbonylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(cyclopentanecarbonylamino)acetate
PubChem CID123696523
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl 2-(cyclopentanecarbonylamino)acetate
SMILESCC(C)(C)OC(=O)CNC(=O)C1CCCC1
InChIInChI=1S/C12H21NO3/c1-12(2,3)16-10(14)8-13-11(15)9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeySAYMFONIAKKRHB-UHFFFAOYSA-N
XLogP1.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-(cyclopentanecarbonylamino)acetate
CID 56808767
N-(2-hydroxy-2-methylpropyl)cyclohexanecarboxamide
CID 65109688
tert-butyl 2-(cyclopentyloxyamino)acetate
CID 83228289
N-(2-oxopropyl)cycloheptanecarboxamide
CID 64996887
N-(2-methylprop-2-enyl)cyclopentanecarboxamide
CID 91695769
tert-butyl 4-[2-(cyclopropanecarbonylamino)acetyl]-1,4-diazepane-1-carboxylate
CID 95752747
tert-butyl N-(cyclododecanecarbonylamino)carbamate
CID 175503254
tert-butyl 2-(2-cyclohexylethylamino)acetate
CID 60920745
tert-butyl N-[3-[3-(cyclohexanecarbonylamino)propylamino]-3-oxopropyl]carbamate
CID 108921552
tert-butyl N-[5-[2-[2-[5-(cyclohexanecarbonylamino)pentoxy]ethoxy]ethoxy]pentyl]carbamate
CID 142616129
tert-butyl 2-[[4-(cyclohexanecarbonylamino)phenyl]sulfonylamino]acetate
CID 22456406
N-[2-(dimethylamino)-2-oxoethyl]cyclopentanecarboxamide
CID 39969864

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(cyclopentanecarbonylamino)acetate?
The IUPAC name of tert-butyl 2-(cyclopentanecarbonylamino)acetate (CID 123696523) is tert-butyl 2-(cyclopentanecarbonylamino)acetate.
What is the SMILES notation for tert-butyl 2-(cyclopentanecarbonylamino)acetate?
The canonical SMILES for tert-butyl 2-(cyclopentanecarbonylamino)acetate is CC(C)(C)OC(=O)CNC(=O)C1CCCC1.
What is the InChIKey of tert-butyl 2-(cyclopentanecarbonylamino)acetate?
The InChIKey is SAYMFONIAKKRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(2,3)16-10(14)8-13-11(15)9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl 2-(cyclopentanecarbonylamino)acetate?
tert-butyl 2-(cyclopentanecarbonylamino)acetate has a molecular weight of 227.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(cyclopentanecarbonylamino)acetate is sourced from PubChem (CID 123696523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).