2-[butan-2-yl-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid

C12H22N2O3 — CID 61209214

IUPAC2-[butan-2-yl-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N(C)CC1CC1
InChIInChI=1S/C12H22N2O3/c1-4-9(2)14(8-11(15)16)12(17)13(3)7-10-5-6-10/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyMTMKFJVMQRNQLA-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.63
Rot. Bonds6

About 2-[butan-2-yl-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid

2-[butan-2-yl-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid (PubChem CID 61209214) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[butan-2-yl-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
PubChem CID61209214
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[butan-2-yl-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N(C)CC1CC1
InChIInChI=1S/C12H22N2O3/c1-4-9(2)14(8-11(15)16)12(17)13(3)7-10-5-6-10/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyMTMKFJVMQRNQLA-UHFFFAOYSA-N
XLogP1.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-butan-2-ylamino]acetic acid
CID 63684063
2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid
CID 61186225
2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 63656971
2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 61428242
2-[[cyclopropylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62638309
2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
CID 107438105
2-[[cyclopentylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
CID 63655952
2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid
CID 60828230
2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
CID 61444099
2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]acetic acid
CID 55257505
2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid
CID 43656094
2-[[cyclobutylmethyl(methyl)carbamoyl]-cyclopentylamino]acetic acid
CID 55125772

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid (CID 61209214) is 2-[butan-2-yl-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)N(C)CC1CC1.
What is the InChIKey of 2-[butan-2-yl-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid?
The InChIKey is MTMKFJVMQRNQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-9(2)14(8-11(15)16)12(17)13(3)7-10-5-6-10/h9-10H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[butan-2-yl-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid?
2-[butan-2-yl-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61209214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).