2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]acetic acid

C12H22N2O3 — CID 55257505

IUPAC2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]acetic acid
SMILESCC1CC1CN(C)C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C12H22N2O3/c1-8(2)14(7-11(15)16)12(17)13(4)6-10-5-9(10)3/h8-10H,5-7H2,1-4H3,(H,15,16)
InChIKeyJBOXDGOIAOQQPT-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.49
Rot. Bonds5

About 2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]acetic acid

2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]acetic acid (PubChem CID 55257505) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]acetic acid
PubChem CID55257505
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]acetic acid
SMILESCC1CC1CN(C)C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C12H22N2O3/c1-8(2)14(7-11(15)16)12(17)13(4)6-10-5-9(10)3/h8-10H,5-7H2,1-4H3,(H,15,16)
InChIKeyJBOXDGOIAOQQPT-UHFFFAOYSA-N
XLogP1.49
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]propanoic acid
CID 63860398
2-[tert-butyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid
CID 79257101
2-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]propanoic acid
CID 63859352
2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid
CID 61198991
2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 61204584
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-butan-2-ylamino]acetic acid
CID 63684063
2-(4-hydroxy-N-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]anilino)acetic acid
CID 63860770
2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propan-2-ylamino]acetic acid
CID 61197296
2-[butan-2-yl-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
CID 61209214
2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide
CID 63864984
N-methyl-N-[(2-methylcyclopropyl)methyl]acetamide
CID 64592009
2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 55137125

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]acetic acid (CID 55257505) is 2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]acetic acid is CC1CC1CN(C)C(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]acetic acid?
The InChIKey is JBOXDGOIAOQQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)14(7-11(15)16)12(17)13(4)6-10-5-9(10)3/h8-10H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]acetic acid?
2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 55257505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).