3-methoxy-2-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]propanoic acid

C15H28N2O4 — CID 81085411

IUPAC3-methoxy-2-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]propanoic acid
SMILESCOCC(NC(=O)NCC1(CC(C)C)CCCC1)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-11(2)8-15(6-4-5-7-15)10-16-14(20)17-12(9-21-3)13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyCXCKTLWIHQPWRN-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.99
Rot. Bonds8

About 3-methoxy-2-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]propanoic acid

3-methoxy-2-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]propanoic acid (PubChem CID 81085411) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-methoxy-2-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]propanoic acid
PubChem CID81085411
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name3-methoxy-2-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]propanoic acid
SMILESCOCC(NC(=O)NCC1(CC(C)C)CCCC1)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-11(2)8-15(6-4-5-7-15)10-16-14(20)17-12(9-21-3)13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyCXCKTLWIHQPWRN-UHFFFAOYSA-N
XLogP1.99
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-2-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]butanoic acid
CID 80541329
2-(ethylcarbamoylamino)-3-methoxypropanoic acid
CID 81076919
methyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate
CID 112617453
1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea
CID 116656790
3-methoxy-2-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 113405671
(2S)-4-methyl-2-[(1-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 63830703
3-methoxy-2-(prop-2-ynylcarbamoylamino)propanoic acid
CID 81084281
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 115362818
2-(2-cyclohexyloxyethylcarbamoylamino)-3-methoxypropanoic acid
CID 81081378
3-methoxy-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 81081570
1-(1-methoxypropan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea
CID 71919516
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid
CID 113309539

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]propanoic acid?
The IUPAC name of 3-methoxy-2-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]propanoic acid (CID 81085411) is 3-methoxy-2-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]propanoic acid is COCC(NC(=O)NCC1(CC(C)C)CCCC1)C(=O)O.
What is the InChIKey of 3-methoxy-2-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]propanoic acid?
The InChIKey is CXCKTLWIHQPWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11(2)8-15(6-4-5-7-15)10-16-14(20)17-12(9-21-3)13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-methoxy-2-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]propanoic acid?
3-methoxy-2-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]propanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 81085411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).