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

C10H15N3O4 — CID 65458641

IUPAC2-[1-(1-aminocyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetic acid
SMILESNC1(C(=O)N2CCNC(=O)C2CC(=O)O)CC1
InChIInChI=1S/C10H15N3O4/c11-10(1-2-10)9(17)13-4-3-12-8(16)6(13)5-7(14)15/h6H,1-5,11H2,(H,12,16)(H,14,15)
InChIKeyVETCKUHPQXAWKX-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.72
Rot. Bonds3

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

2-[1-(1-aminocyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 65458641) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[1-(1-aminocyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-aminocyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID65458641
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-[1-(1-aminocyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetic acid
SMILESNC1(C(=O)N2CCNC(=O)C2CC(=O)O)CC1
InChIInChI=1S/C10H15N3O4/c11-10(1-2-10)9(17)13-4-3-12-8(16)6(13)5-7(14)15/h6H,1-5,11H2,(H,12,16)(H,14,15)
InChIKeyVETCKUHPQXAWKX-UHFFFAOYSA-N
XLogP-1.72
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(1-methoxycyclobutyl)acetyl]-3-oxopiperazin-2-yl]acetic acid
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2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid
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2-[1-(5-aminohexanoyl)-3-oxopiperazin-2-yl]acetic acid
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2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid
CID 2756051
2-[3-oxo-1-[2-(prop-2-enylamino)acetyl]piperazin-2-yl]acetic acid
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2-[1-(5-bromothiophene-2-carbonyl)-3-oxopiperazin-2-yl]acetic acid
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2-[1-(2,5-dibromothiophene-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
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2-[1-(2-chloroprop-2-enylcarbamoyl)-3-oxopiperazin-2-yl]acetic acid
CID 113464816
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
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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminocyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(1-aminocyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetic acid (CID 65458641) is 2-[1-(1-aminocyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-aminocyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(1-aminocyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetic acid is NC1(C(=O)N2CCNC(=O)C2CC(=O)O)CC1.
What is the InChIKey of 2-[1-(1-aminocyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is VETCKUHPQXAWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c11-10(1-2-10)9(17)13-4-3-12-8(16)6(13)5-7(14)15/h6H,1-5,11H2,(H,12,16)(H,14,15).
What are the key properties of 2-[1-(1-aminocyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetic acid?
2-[1-(1-aminocyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 241.25 g/mol, XLogP of -1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-aminocyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 65458641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).