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

C10H17N5O5 — CID 83114279

IUPAC2-[1-[2-(carbamoylamino)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid
SMILESNC(=O)NCCNC(=O)N1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C10H17N5O5/c11-9(19)13-1-2-14-10(20)15-4-3-12-8(18)6(15)5-7(16)17/h6H,1-5H2,(H,12,18)(H,14,20)(H,16,17)(H3,11,13,19)
InChIKeyRBUQBBQXSSJPEZ-UHFFFAOYSA-N
MW287.28 g/mol
LogP-2.36
Rot. Bonds5

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

2-[1-[2-(carbamoylamino)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid (PubChem CID 83114279) has the molecular formula C10H17N5O5 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-[1-[2-(carbamoylamino)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(carbamoylamino)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid
PubChem CID83114279
Molecular FormulaC10H17N5O5
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC Name2-[1-[2-(carbamoylamino)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid
SMILESNC(=O)NCCNC(=O)N1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C10H17N5O5/c11-9(19)13-1-2-14-10(20)15-4-3-12-8(18)6(15)5-7(16)17/h6H,1-5H2,(H,12,18)(H,14,20)(H,16,17)(H3,11,13,19)
InChIKeyRBUQBBQXSSJPEZ-UHFFFAOYSA-N
XLogP-2.36
TPSA153.86 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 5-2.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-oxo-1-(pent-3-ynylcarbamoyl)piperazin-2-yl]acetic acid
CID 116644810
2-[1-(2-chloroprop-2-enylcarbamoyl)-3-oxopiperazin-2-yl]acetic acid
CID 113464816
2-[1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid
CID 65231671
2-[1-(1-aminocyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 65458641
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
CID 79278410
2-[1-[2-(2-aminoethoxy)acetyl]-3-oxopiperazin-2-yl]acetic acid
CID 79478909
2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 119074318
2-[1-(2,5-dibromothiophene-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 103790399
2-[1-(5-aminohexanoyl)-3-oxopiperazin-2-yl]acetic acid
CID 82851582
4-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-4-oxobutanoic acid
CID 63605268
2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid
CID 62032428

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(carbamoylamino)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(carbamoylamino)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid (CID 83114279) is 2-[1-[2-(carbamoylamino)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(carbamoylamino)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(carbamoylamino)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid is NC(=O)NCCNC(=O)N1CCNC(=O)C1CC(=O)O.
What is the InChIKey of 2-[1-[2-(carbamoylamino)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is RBUQBBQXSSJPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O5/c11-9(19)13-1-2-14-10(20)15-4-3-12-8(18)6(15)5-7(16)17/h6H,1-5H2,(H,12,18)(H,14,20)(H,16,17)(H3,11,13,19).
What are the key properties of 2-[1-[2-(carbamoylamino)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid?
2-[1-[2-(carbamoylamino)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 287.28 g/mol, XLogP of -2.36, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(carbamoylamino)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 83114279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).