3-cyclopropyl-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid

C12H22N2O4 — CID 112735106

IUPAC3-cyclopropyl-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid
SMILESCOCC(C)CNC(=O)NC(CC1CC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-8(7-18-2)6-13-12(17)14-10(11(15)16)5-9-3-4-9/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyYNGOQMOSQVKTCZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.82
Rot. Bonds8

About 3-cyclopropyl-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid

3-cyclopropyl-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid (PubChem CID 112735106) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid
PubChem CID112735106
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name3-cyclopropyl-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid
SMILESCOCC(C)CNC(=O)NC(CC1CC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-8(7-18-2)6-13-12(17)14-10(11(15)16)5-9-3-4-9/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyYNGOQMOSQVKTCZ-UHFFFAOYSA-N
XLogP0.82
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid
CID 78979081
3-methoxy-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 81081570
1-ethyl-3-(3-methoxy-2-methylpropyl)urea
CID 115593972
2-[[(3-methoxy-2-methylpropyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 65221880
(2S)-3-cyclopropyl-2-[3-(dimethylamino)propylcarbamoylamino]propanoic acid
CID 112734882
(2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid
CID 61183008
2-(ethylcarbamoylamino)-3-methoxypropanoic acid
CID 81076919
3-cyclopropyl-2-[1-(oxolan-3-yl)ethylcarbamoylamino]propanoic acid
CID 114189004
(2S)-2-(1-cyclopropylpropan-2-ylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107827918
4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244716
(2S)-3-(1-cyclopropylpropan-2-ylcarbamoylamino)-2-hydroxypropanoic acid
CID 107840066
3-[(3-methoxy-2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898277

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid (CID 112735106) is 3-cyclopropyl-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid is COCC(C)CNC(=O)NC(CC1CC1)C(=O)O.
What is the InChIKey of 3-cyclopropyl-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid?
The InChIKey is YNGOQMOSQVKTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8(7-18-2)6-13-12(17)14-10(11(15)16)5-9-3-4-9/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 3-cyclopropyl-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid?
3-cyclopropyl-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.82, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 112735106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).