2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]pentanedioic acid

C12H20N2O5 — CID 63859361

IUPAC2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]pentanedioic acid
SMILESCC1CC1CN(C)C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-7-5-8(7)6-14(2)12(19)13-9(11(17)18)3-4-10(15)16/h7-9H,3-6H2,1-2H3,(H,13,19)(H,15,16)(H,17,18)
InChIKeyGMZBGZFYXKVIBE-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.60
Rot. Bonds7

About 2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]pentanedioic acid

2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]pentanedioic acid (PubChem CID 63859361) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]pentanedioic acid
PubChem CID63859361
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]pentanedioic acid
SMILESCC1CC1CN(C)C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-7-5-8(7)6-14(2)12(19)13-9(11(17)18)3-4-10(15)16/h7-9H,3-6H2,1-2H3,(H,13,19)(H,15,16)(H,17,18)
InChIKeyGMZBGZFYXKVIBE-UHFFFAOYSA-N
XLogP0.60
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid
CID 63657379
(2S)-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanedioic acid
CID 63707575
(2S)-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]pentanedioic acid
CID 63274978
2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanedioic acid
CID 79311373
2-[[methyl(2-methylpropyl)carbamoyl]amino]pentanedioic acid
CID 61196782
3-hydroxy-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid
CID 63859003
2-cyclopropyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid
CID 55257507
(2R)-3-(1H-imidazol-5-yl)-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]propanoic acid
CID 104895210
(2S)-2-[[methyl(3-methylbutyl)carbamoyl]amino]pentanedioic acid
CID 61429121
2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pentanedioic acid
CID 61192921
2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid
CID 61194163
(2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61443524

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]pentanedioic acid?
The IUPAC name of 2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]pentanedioic acid (CID 63859361) is 2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]pentanedioic acid is CC1CC1CN(C)C(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]pentanedioic acid?
The InChIKey is GMZBGZFYXKVIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-7-5-8(7)6-14(2)12(19)13-9(11(17)18)3-4-10(15)16/h7-9H,3-6H2,1-2H3,(H,13,19)(H,15,16)(H,17,18).
What are the key properties of 2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]pentanedioic acid?
2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]pentanedioic acid has a molecular weight of 272.30 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]pentanedioic acid is sourced from PubChem (CID 63859361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).