(2-amino-2-methylpropanoyl) 1-aminocyclopentane-1-carboxylate

C10H18N2O3 — CID 174389618

IUPAC(2-amino-2-methylpropanoyl) 1-aminocyclopentane-1-carboxylate
SMILESCC(C)(N)C(=O)OC(=O)C1(N)CCCC1
InChIInChI=1S/C10H18N2O3/c1-9(2,11)7(13)15-8(14)10(12)5-3-4-6-10/h3-6,11-12H2,1-2H3
InChIKeyZYTDZJYMCLONEH-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.06
Rot. Bonds2

About (2-amino-2-methylpropanoyl) 1-aminocyclopentane-1-carboxylate

(2-amino-2-methylpropanoyl) 1-aminocyclopentane-1-carboxylate (PubChem CID 174389618) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2-amino-2-methylpropanoyl) 1-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Name(2-amino-2-methylpropanoyl) 1-aminocyclopentane-1-carboxylate
PubChem CID174389618
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(2-amino-2-methylpropanoyl) 1-aminocyclopentane-1-carboxylate
SMILESCC(C)(N)C(=O)OC(=O)C1(N)CCCC1
InChIInChI=1S/C10H18N2O3/c1-9(2,11)7(13)15-8(14)10(12)5-3-4-6-10/h3-6,11-12H2,1-2H3
InChIKeyZYTDZJYMCLONEH-UHFFFAOYSA-N
XLogP0.06
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 1-aminocyclohexane-1-carboxylate;formic acid
CID 174428649
tert-butyl 1-amino-5-hydroxycyclooctane-1-carboxylate
CID 155469441
(2-amino-2-methylpropanoyl) 2,2-dimethylpropanoate
CID 163587095
2-aminopropan-2-yl 2-amino-2-methylpropanoate
CID 163435102
2-methylpropyl 1-aminocyclopentane-1-carboxylate;hydrochloride
CID 21144157
propyl 1-aminocycloheptane-1-carboxylate
CID 43248011
spiro[4.5]decan-8-yl 2-amino-2-methylpropanoate
CID 162724749
2-cyclopropylethyl 1-aminocyclopentane-1-carboxylate
CID 106202522
1-(1-aminocyclobutyl)-2,2-dimethylpropan-1-one
CID 116598505
1-amino-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide
CID 82723464
(1-aminocyclopentanecarbonyl) 1-benzothiophene-2-carboxylate
CID 91152950
1-aminocyclopentane-1-carboxamide;ethane
CID 176999310

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-methylpropanoyl) 1-aminocyclopentane-1-carboxylate?
The IUPAC name of (2-amino-2-methylpropanoyl) 1-aminocyclopentane-1-carboxylate (CID 174389618) is (2-amino-2-methylpropanoyl) 1-aminocyclopentane-1-carboxylate.
What is the SMILES notation for (2-amino-2-methylpropanoyl) 1-aminocyclopentane-1-carboxylate?
The canonical SMILES for (2-amino-2-methylpropanoyl) 1-aminocyclopentane-1-carboxylate is CC(C)(N)C(=O)OC(=O)C1(N)CCCC1.
What is the InChIKey of (2-amino-2-methylpropanoyl) 1-aminocyclopentane-1-carboxylate?
The InChIKey is ZYTDZJYMCLONEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-9(2,11)7(13)15-8(14)10(12)5-3-4-6-10/h3-6,11-12H2,1-2H3.
What are the key properties of (2-amino-2-methylpropanoyl) 1-aminocyclopentane-1-carboxylate?
(2-amino-2-methylpropanoyl) 1-aminocyclopentane-1-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-methylpropanoyl) 1-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 174389618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).