2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid

C12H22N2O3 — CID 103995838

IUPAC2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid
SMILESCC(C)(C)CCNC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)6-7-13-11(17)14(8-10(15)16)9-4-5-9/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyLGEZLTNQFCMHKK-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.68
Rot. Bonds5

About 2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid

2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid (PubChem CID 103995838) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid
PubChem CID103995838
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid
SMILESCC(C)(C)CCNC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)6-7-13-11(17)14(8-10(15)16)9-4-5-9/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyLGEZLTNQFCMHKK-UHFFFAOYSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(propylcarbamoyl)amino]acetic acid
CID 60828450
2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid
CID 83113212
2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid
CID 54978981
2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid
CID 61181974
2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
CID 54978578
2-[cyclopropyl(2-sulfamoylethylcarbamoyl)amino]acetic acid
CID 54978624
2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid
CID 82944448
6-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287805
2-[cyclopropyl(2-cyclopropylpropylcarbamoyl)amino]acetic acid
CID 103997573
2-[cyclopentyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
CID 61201868
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-cyclopentylamino]acetic acid
CID 106279068
2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-cyclopropylamino]acetic acid
CID 106239260

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid (CID 103995838) is 2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid is CC(C)(C)CCNC(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid?
The InChIKey is LGEZLTNQFCMHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)6-7-13-11(17)14(8-10(15)16)9-4-5-9/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid?
2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 103995838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).