2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxypropanoic acid

C13H22N2O5 — CID 81076784

IUPAC2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)CCNC(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-20-8-10(13(18)19)15-11(16)6-7-14-12(17)9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyZUVDMHYQCNRKNQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.10
Rot. Bonds8

About 2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxypropanoic acid

2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxypropanoic acid (PubChem CID 81076784) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxypropanoic acid
PubChem CID81076784
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)CCNC(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-20-8-10(13(18)19)15-11(16)6-7-14-12(17)9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyZUVDMHYQCNRKNQ-UHFFFAOYSA-N
XLogP-0.10
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid
CID 43170171
2-(cycloheptanecarbonylamino)-3-methoxypropanoic acid
CID 81077203
2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 43354069
4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid
CID 103152614
3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid
CID 55105354
3-methoxy-2-(3-methylsulfanylpropanoylamino)propanoic acid
CID 81080047
N-[2-(1-methoxypropan-2-ylcarbamoylamino)ethyl]cyclopentanecarboxamide
CID 60612562
3-methoxy-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid
CID 81084969
2-[4-(cyclopropanecarbonylamino)butanoylamino]butanoic acid
CID 119224160
2-(2-cyclohexyloxyethylcarbamoylamino)-3-methoxypropanoic acid
CID 81081378
2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
CID 55091388
4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 81062987

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxypropanoic acid?
The IUPAC name of 2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxypropanoic acid (CID 81076784) is 2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxypropanoic acid is COCC(NC(=O)CCNC(=O)C1CCCC1)C(=O)O.
What is the InChIKey of 2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxypropanoic acid?
The InChIKey is ZUVDMHYQCNRKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-20-8-10(13(18)19)15-11(16)6-7-14-12(17)9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxypropanoic acid?
2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxypropanoic acid has a molecular weight of 286.33 g/mol, XLogP of -0.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxypropanoic acid is sourced from PubChem (CID 81076784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).