1-(prop-2-ynoylamino)cyclopentane-1-carboxylic acid

C9H11NO3 — CID 43162957

IUPAC1-(prop-2-ynoylamino)cyclopentane-1-carboxylic acid
SMILESC#CC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C9H11NO3/c1-2-7(11)10-9(8(12)13)5-3-4-6-9/h1H,3-6H2,(H,10,11)(H,12,13)
InChIKeyOBBUSMSVBMYLKG-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.13
Rot. Bonds2

About 1-(prop-2-ynoylamino)cyclopentane-1-carboxylic acid

1-(prop-2-ynoylamino)cyclopentane-1-carboxylic acid (PubChem CID 43162957) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1-(prop-2-ynoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(prop-2-ynoylamino)cyclopentane-1-carboxylic acid
PubChem CID43162957
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name1-(prop-2-ynoylamino)cyclopentane-1-carboxylic acid
SMILESC#CC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C9H11NO3/c1-2-7(11)10-9(8(12)13)5-3-4-6-9/h1H,3-6H2,(H,10,11)(H,12,13)
InChIKeyOBBUSMSVBMYLKG-UHFFFAOYSA-N
XLogP0.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(prop-2-ynoylamino)cyclohexane-1-carboxylic acid
CID 24708743
1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 24699063
1-[3-(4-chlorophenyl)prop-2-ynoylamino]cyclohexane-1-carboxylic acid
CID 67181175
1-(but-3-yn-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 114418397
N-[1-(aminomethyl)cycloheptyl]prop-2-ynamide
CID 82505299
1-(pent-1-yn-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106232227
1-(piperidin-1-ylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 83020129
1-(pent-1-yn-3-ylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 106232145
1-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 61158699
1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid
CID 13376659
1-(cyclopentanecarbonylamino)cyclobutane-1-carboxylic acid
CID 81158706
1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid
CID 59902421

Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-ynoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(prop-2-ynoylamino)cyclopentane-1-carboxylic acid (CID 43162957) is 1-(prop-2-ynoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(prop-2-ynoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(prop-2-ynoylamino)cyclopentane-1-carboxylic acid is C#CC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(prop-2-ynoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is OBBUSMSVBMYLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-7(11)10-9(8(12)13)5-3-4-6-9/h1H,3-6H2,(H,10,11)(H,12,13).
What are the key properties of 1-(prop-2-ynoylamino)cyclopentane-1-carboxylic acid?
1-(prop-2-ynoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-ynoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43162957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).