1-(tert-butylcarbamoylamino)cyclopropane-1-carboxylic acid

C9H16N2O3 — CID 65452446

IUPAC1-(tert-butylcarbamoylamino)cyclopropane-1-carboxylic acid
SMILESCC(C)(C)NC(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C9H16N2O3/c1-8(2,3)10-7(14)11-9(4-5-9)6(12)13/h4-5H2,1-3H3,(H,12,13)(H2,10,11,14)
InChIKeyUNABIMWQPAKOLN-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.70
Rot. Bonds2

About 1-(tert-butylcarbamoylamino)cyclopropane-1-carboxylic acid

1-(tert-butylcarbamoylamino)cyclopropane-1-carboxylic acid (PubChem CID 65452446) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(tert-butylcarbamoylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(tert-butylcarbamoylamino)cyclopropane-1-carboxylic acid
PubChem CID65452446
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-(tert-butylcarbamoylamino)cyclopropane-1-carboxylic acid
SMILESCC(C)(C)NC(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C9H16N2O3/c1-8(2,3)10-7(14)11-9(4-5-9)6(12)13/h4-5H2,1-3H3,(H,12,13)(H2,10,11,14)
InChIKeyUNABIMWQPAKOLN-UHFFFAOYSA-N
XLogP0.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 103997635
1-(2-cyclopropylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 114111630
4-(2-methylbutan-2-ylcarbamoylamino)oxane-4-carboxylic acid
CID 113280398
1-tert-butyl-3-(1-carbamothioylcyclooctyl)urea
CID 61122375
1-(2,2-dimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 103463422
1-(2,3,3-trimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 83144099
4-ethyl-1-(2-methylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61186572
1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162026
4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]oxane-4-carboxylic acid
CID 113470689
1-(3-ethylpentan-3-ylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 65042943
1-tert-butyl-3-(4-methyloxan-4-yl)urea
CID 116657944
1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 65463687

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylcarbamoylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(tert-butylcarbamoylamino)cyclopropane-1-carboxylic acid (CID 65452446) is 1-(tert-butylcarbamoylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(tert-butylcarbamoylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(tert-butylcarbamoylamino)cyclopropane-1-carboxylic acid is CC(C)(C)NC(=O)NC1(C(=O)O)CC1.
What is the InChIKey of 1-(tert-butylcarbamoylamino)cyclopropane-1-carboxylic acid?
The InChIKey is UNABIMWQPAKOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-8(2,3)10-7(14)11-9(4-5-9)6(12)13/h4-5H2,1-3H3,(H,12,13)(H2,10,11,14).
What are the key properties of 1-(tert-butylcarbamoylamino)cyclopropane-1-carboxylic acid?
1-(tert-butylcarbamoylamino)cyclopropane-1-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of 0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylcarbamoylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 65452446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).