2-(tert-butylcarbamoylamino)-2-cyclopropylacetic acid

C10H18N2O3 — CID 62695953

IUPAC2-(tert-butylcarbamoylamino)-2-cyclopropylacetic acid
SMILESCC(C)(C)NC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O3/c1-10(2,3)12-9(15)11-7(8(13)14)6-4-5-6/h6-7H,4-5H2,1-3H3,(H,13,14)(H2,11,12,15)
InChIKeyMPCUJRVESQWVLW-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.95
Rot. Bonds3

About 2-(tert-butylcarbamoylamino)-2-cyclopropylacetic acid

2-(tert-butylcarbamoylamino)-2-cyclopropylacetic acid (PubChem CID 62695953) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(tert-butylcarbamoylamino)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-(tert-butylcarbamoylamino)-2-cyclopropylacetic acid
PubChem CID62695953
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-(tert-butylcarbamoylamino)-2-cyclopropylacetic acid
SMILESCC(C)(C)NC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O3/c1-10(2,3)12-9(15)11-7(8(13)14)6-4-5-6/h6-7H,4-5H2,1-3H3,(H,13,14)(H2,11,12,15)
InChIKeyMPCUJRVESQWVLW-UHFFFAOYSA-N
XLogP0.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-amino-2-methylpropanoyl)amino]-2-cyclopropylacetic acid
CID 62696214
2-[[3-(tert-butylamino)-3-oxopropyl]amino]-2-cyclopropylacetic acid
CID 103263129
2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid
CID 83017392
2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)carbamoylamino]acetic acid
CID 62711233
(2S)-2-cyclopropyl-2-[(2,2,2-trichloroacetyl)amino]acetic acid
CID 101214790
1-tert-butyl-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 63298478
2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid
CID 62695644
2-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
CID 83114452
2-cyclopropyl-2-(methylamino)acetic acid;hydrochloride
CID 146194288
2-cyclopropyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid
CID 104763656
2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid
CID 62711231
2-cyclopropyl-2-(4-methylpentylcarbamoylamino)acetic acid
CID 63002690

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylcarbamoylamino)-2-cyclopropylacetic acid?
The IUPAC name of 2-(tert-butylcarbamoylamino)-2-cyclopropylacetic acid (CID 62695953) is 2-(tert-butylcarbamoylamino)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-(tert-butylcarbamoylamino)-2-cyclopropylacetic acid?
The canonical SMILES for 2-(tert-butylcarbamoylamino)-2-cyclopropylacetic acid is CC(C)(C)NC(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-(tert-butylcarbamoylamino)-2-cyclopropylacetic acid?
The InChIKey is MPCUJRVESQWVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,3)12-9(15)11-7(8(13)14)6-4-5-6/h6-7H,4-5H2,1-3H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-(tert-butylcarbamoylamino)-2-cyclopropylacetic acid?
2-(tert-butylcarbamoylamino)-2-cyclopropylacetic acid has a molecular weight of 214.26 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylcarbamoylamino)-2-cyclopropylacetic acid is sourced from PubChem (CID 62695953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).