4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid

C14H24N2O5 — CID 103152614

IUPAC4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)CCNC(=O)C1CCCC1)CC(=O)O
InChIInChI=1S/C14H24N2O5/c1-21-11(8-13(18)19)9-16-12(17)6-7-15-14(20)10-4-2-3-5-10/h10-11H,2-9H2,1H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyCMOWZLRXCYAUJM-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.29
Rot. Bonds9

About 4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid

4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid (PubChem CID 103152614) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid
PubChem CID103152614
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)CCNC(=O)C1CCCC1)CC(=O)O
InChIInChI=1S/C14H24N2O5/c1-21-11(8-13(18)19)9-16-12(17)6-7-15-14(20)10-4-2-3-5-10/h10-11H,2-9H2,1H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyCMOWZLRXCYAUJM-UHFFFAOYSA-N
XLogP0.29
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 81062987
3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid
CID 55105354
3-methoxy-4-[(4-methylcyclohexanecarbonyl)amino]butanoic acid
CID 103153013
N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide
CID 43428011
2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxypropanoic acid
CID 81076784
3-methoxy-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]butanoic acid
CID 103152990
2-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]pentanoic acid
CID 65219035
N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide
CID 103771616
4-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxybutanoic acid
CID 103156988
4-[[2-(cyclopropylamino)acetyl]amino]-3-methoxybutanoic acid
CID 103157367
4-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoylamino]-3-methoxybutanoic acid
CID 103159154
N-(3-hydrazinyl-3-oxopropyl)cyclopentanecarboxamide
CID 43348493

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid?
The IUPAC name of 4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid (CID 103152614) is 4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid is COC(CNC(=O)CCNC(=O)C1CCCC1)CC(=O)O.
What is the InChIKey of 4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid?
The InChIKey is CMOWZLRXCYAUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-21-11(8-13(18)19)9-16-12(17)6-7-15-14(20)10-4-2-3-5-10/h10-11H,2-9H2,1H3,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of 4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid?
4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid has a molecular weight of 300.36 g/mol, XLogP of 0.29, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid is sourced from PubChem (CID 103152614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).