1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid

C10H15NO5 — CID 13376659

IUPAC1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)CCC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C10H15NO5/c12-7(3-4-8(13)14)11-10(9(15)16)5-1-2-6-10/h1-6H2,(H,11,12)(H,13,14)(H,15,16)
InChIKeyYMFGSENUYYGQQS-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.36
Rot. Bonds5

About 1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid

1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 13376659) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid
PubChem CID13376659
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)CCC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C10H15NO5/c12-7(3-4-8(13)14)11-10(9(15)16)5-1-2-6-10/h1-6H2,(H,11,12)(H,13,14)(H,15,16)
InChIKeyYMFGSENUYYGQQS-UHFFFAOYSA-N
XLogP0.36
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849
1-(butanoylamino)cyclobutane-1-carboxylic acid
CID 81158952
1-[3-(propan-2-ylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 61160411
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577
1-(pentanoylamino)cyclobutane-1-carboxylic acid
CID 81164926
1-(nonanoylamino)cyclohexane-1-carboxylic acid
CID 43350921
1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid
CID 43329530
1-(nonanoylamino)cycloheptane-1-carboxylic acid
CID 43172633
1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid
CID 65292395
1-[3-(2-methoxyethoxy)propanoylamino]cycloheptane-1-carboxylic acid
CID 120539104
1-(3-butylsulfanylpropanoylamino)cyclopentane-1-carboxylic acid
CID 119176584
1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxylic acid
CID 65292201

Frequently Asked Questions

What is the IUPAC name of 1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid (CID 13376659) is 1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid is O=C(O)CCC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is YMFGSENUYYGQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c12-7(3-4-8(13)14)11-10(9(15)16)5-1-2-6-10/h1-6H2,(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid?
1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 229.23 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 13376659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).