2-[1-(2-chloroprop-2-enylcarbamoyl)-3-oxopiperazin-2-yl]acetic acid

C10H14ClN3O4 — CID 113464816

IUPAC2-[1-(2-chloroprop-2-enylcarbamoyl)-3-oxopiperazin-2-yl]acetic acid
SMILESC=C(Cl)CNC(=O)N1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C10H14ClN3O4/c1-6(11)5-13-10(18)14-3-2-12-9(17)7(14)4-8(15)16/h7H,1-5H2,(H,12,17)(H,13,18)(H,15,16)
InChIKeyISCLJRAVECBXDY-UHFFFAOYSA-N
MW275.69 g/mol
LogP-0.28
Rot. Bonds4

About 2-[1-(2-chloroprop-2-enylcarbamoyl)-3-oxopiperazin-2-yl]acetic acid

2-[1-(2-chloroprop-2-enylcarbamoyl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 113464816) has the molecular formula C10H14ClN3O4 and a molecular weight of 275.69 g/mol. Its IUPAC name is 2-[1-(2-chloroprop-2-enylcarbamoyl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-chloroprop-2-enylcarbamoyl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID113464816
Molecular FormulaC10H14ClN3O4
Molecular Weight275.69 g/mol
Exact Mass275.07
IUPAC Name2-[1-(2-chloroprop-2-enylcarbamoyl)-3-oxopiperazin-2-yl]acetic acid
SMILESC=C(Cl)CNC(=O)N1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C10H14ClN3O4/c1-6(11)5-13-10(18)14-3-2-12-9(17)7(14)4-8(15)16/h7H,1-5H2,(H,12,17)(H,13,18)(H,15,16)
InChIKeyISCLJRAVECBXDY-UHFFFAOYSA-N
XLogP-0.28
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(carbamoylamino)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid
CID 83114279
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2-[3-oxo-1-[2-(prop-2-enylamino)acetyl]piperazin-2-yl]acetic acid
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2-[1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid
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2-[1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetic acid
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2-[1-(furan-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 62034409
2-[1-(4-chloro-3-fluorobenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 106703194
2-[1-(3-chloro-4-fluorobenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 82872889
2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid
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2-[1-(5-bromothiophene-2-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 62032405

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloroprop-2-enylcarbamoyl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-chloroprop-2-enylcarbamoyl)-3-oxopiperazin-2-yl]acetic acid (CID 113464816) is 2-[1-(2-chloroprop-2-enylcarbamoyl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-chloroprop-2-enylcarbamoyl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-chloroprop-2-enylcarbamoyl)-3-oxopiperazin-2-yl]acetic acid is C=C(Cl)CNC(=O)N1CCNC(=O)C1CC(=O)O.
What is the InChIKey of 2-[1-(2-chloroprop-2-enylcarbamoyl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is ISCLJRAVECBXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O4/c1-6(11)5-13-10(18)14-3-2-12-9(17)7(14)4-8(15)16/h7H,1-5H2,(H,12,17)(H,13,18)(H,15,16).
What are the key properties of 2-[1-(2-chloroprop-2-enylcarbamoyl)-3-oxopiperazin-2-yl]acetic acid?
2-[1-(2-chloroprop-2-enylcarbamoyl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 275.69 g/mol, XLogP of -0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloroprop-2-enylcarbamoyl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 113464816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).