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

C10H14N2O3 — CID 24699063

IUPAC1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESC#CCNC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C10H14N2O3/c1-2-7-11-9(15)12-10(8(13)14)5-3-4-6-10/h1H,3-7H2,(H,13,14)(H2,11,12,15)
InChIKeyQQVCQTRZNFIDEG-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.32
Rot. Bonds3

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

1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 24699063) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID24699063
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESC#CCNC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C10H14N2O3/c1-2-7-11-9(15)12-10(8(13)14)5-3-4-6-10/h1H,3-7H2,(H,13,14)(H2,11,12,15)
InChIKeyQQVCQTRZNFIDEG-UHFFFAOYSA-N
XLogP0.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61402688
1-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]cyclobutane-1-carboxylic acid
CID 81167570
1-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid
CID 61199319
1-(pent-1-yn-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106232227
1-(2-pyrrolidin-1-ylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 62634646
1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 103463181
1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 29006531
1-(but-3-yn-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 114418397
1-(pent-1-yn-3-ylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 106232145
1-(prop-2-ynoylamino)cyclopentane-1-carboxylic acid
CID 43162957
1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61299743
1-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 16787443

Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 24699063) is 1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid is C#CCNC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is QQVCQTRZNFIDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-7-11-9(15)12-10(8(13)14)5-3-4-6-10/h1H,3-7H2,(H,13,14)(H2,11,12,15).
What are the key properties of 1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid?
1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 24699063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).