3-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methoxypropanoic acid

C12H21N3O5 — CID 106109953

IUPAC3-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)N(CC(N)=O)C1CCCC1)C(=O)O
InChIInChI=1S/C12H21N3O5/c1-20-9(11(17)18)6-14-12(19)15(7-10(13)16)8-4-2-3-5-8/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyLWUNBRRDSBFIJJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.47
Rot. Bonds7

About 3-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methoxypropanoic acid

3-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methoxypropanoic acid (PubChem CID 106109953) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methoxypropanoic acid
PubChem CID106109953
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name3-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)N(CC(N)=O)C1CCCC1)C(=O)O
InChIInChI=1S/C12H21N3O5/c1-20-9(11(17)18)6-14-12(19)15(7-10(13)16)8-4-2-3-5-8/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyLWUNBRRDSBFIJJ-UHFFFAOYSA-N
XLogP-0.47
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[bis(2-amino-2-oxoethyl)carbamoylamino]-2-methoxypropanoic acid
CID 114144690
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 114144655
4-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid
CID 80541892
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-methoxypropanamide
CID 47418493
ethyl 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]acetate
CID 54949005
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid
CID 54987589
3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid
CID 106108236
2-[cyclopentyl-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]amino]acetic acid
CID 102907226
3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109863
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid
CID 79801359
3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-methoxypropanoic acid
CID 114144778
2-[cyclopentyl(2-methylbutylcarbamoyl)amino]acetic acid
CID 62693564

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methoxypropanoic acid (CID 106109953) is 3-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methoxypropanoic acid is COC(CNC(=O)N(CC(N)=O)C1CCCC1)C(=O)O.
What is the InChIKey of 3-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methoxypropanoic acid?
The InChIKey is LWUNBRRDSBFIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-20-9(11(17)18)6-14-12(19)15(7-10(13)16)8-4-2-3-5-8/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18).
What are the key properties of 3-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methoxypropanoic acid?
3-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methoxypropanoic acid has a molecular weight of 287.32 g/mol, XLogP of -0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106109953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).