2-[cyclopropylmethyl-[(2-methylcyclopropyl)methylcarbamoyl]amino]acetic acid

C12H20N2O3 — CID 103995923

IUPAC2-[cyclopropylmethyl-[(2-methylcyclopropyl)methylcarbamoyl]amino]acetic acid
SMILESCC1CC1CNC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C12H20N2O3/c1-8-4-10(8)5-13-12(17)14(7-11(15)16)6-9-2-3-9/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyPVXSGBXCLCYABO-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.15
Rot. Bonds6

About 2-[cyclopropylmethyl-[(2-methylcyclopropyl)methylcarbamoyl]amino]acetic acid

2-[cyclopropylmethyl-[(2-methylcyclopropyl)methylcarbamoyl]amino]acetic acid (PubChem CID 103995923) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(2-methylcyclopropyl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(2-methylcyclopropyl)methylcarbamoyl]amino]acetic acid
PubChem CID103995923
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[cyclopropylmethyl-[(2-methylcyclopropyl)methylcarbamoyl]amino]acetic acid
SMILESCC1CC1CNC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C12H20N2O3/c1-8-4-10(8)5-13-12(17)14(7-11(15)16)6-9-2-3-9/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyPVXSGBXCLCYABO-UHFFFAOYSA-N
XLogP1.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(cyclopropanecarbonylamino)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 103994352
2-[(3-methylcyclopentyl)methylcarbamoyl-propylamino]acetic acid
CID 107414624
2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
CID 113410869
2-[cyclopropylmethyl-[2-(2-methylpropoxy)ethylcarbamoyl]amino]acetic acid
CID 103996414
2-[3-(cyclopropylamino)propylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 61408059
2-[cyclopropylmethyl-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]amino]acetic acid
CID 83113643
2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid
CID 55246133
2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid
CID 114111594
2-[cyclopropylmethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269872
2-[cyclopropylmethyl-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]amino]acetic acid
CID 107164823
2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid
CID 43135716
2-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid
CID 65048420

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(2-methylcyclopropyl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(2-methylcyclopropyl)methylcarbamoyl]amino]acetic acid (CID 103995923) is 2-[cyclopropylmethyl-[(2-methylcyclopropyl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(2-methylcyclopropyl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(2-methylcyclopropyl)methylcarbamoyl]amino]acetic acid is CC1CC1CNC(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[(2-methylcyclopropyl)methylcarbamoyl]amino]acetic acid?
The InChIKey is PVXSGBXCLCYABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8-4-10(8)5-13-12(17)14(7-11(15)16)6-9-2-3-9/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[cyclopropylmethyl-[(2-methylcyclopropyl)methylcarbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[(2-methylcyclopropyl)methylcarbamoyl]amino]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(2-methylcyclopropyl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 103995923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).