2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid

C8H14N2O3 — CID 43135716

IUPAC2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCC1CC1
InChIInChI=1S/C8H14N2O3/c1-10(5-7(11)12)8(13)9-4-6-2-3-6/h6H,2-5H2,1H3,(H,9,13)(H,11,12)
InChIKeyHZNJUJDSELESOQ-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.12
Rot. Bonds4

About 2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid

2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid (PubChem CID 43135716) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid
PubChem CID43135716
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCC1CC1
InChIInChI=1S/C8H14N2O3/c1-10(5-7(11)12)8(13)9-4-6-2-3-6/h6H,2-5H2,1H3,(H,9,13)(H,11,12)
InChIKeyHZNJUJDSELESOQ-UHFFFAOYSA-N
XLogP0.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid
CID 43371697
2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid
CID 55246133
1,3-bis(cyclopentylmethyl)-1-methylurea
CID 71882536
2-[cyclopropylmethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269872
2-[methyl-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]amino]acetic acid
CID 106020947
2-[(4-methylcyclohexyl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 55174095
2-[tert-butyl(cyclobutylmethylcarbamoyl)amino]acetic acid
CID 79257496
3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea
CID 115590479
2-[(2-methoxy-2-oxoethyl)carbamoyl-methylamino]acetic acid
CID 43135721
2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258875
4-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79526469
2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271258

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid (CID 43135716) is 2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid is CN(CC(=O)O)C(=O)NCC1CC1.
What is the InChIKey of 2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid?
The InChIKey is HZNJUJDSELESOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-10(5-7(11)12)8(13)9-4-6-2-3-6/h6H,2-5H2,1H3,(H,9,13)(H,11,12).
What are the key properties of 2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid?
2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid has a molecular weight of 186.21 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid is sourced from PubChem (CID 43135716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).