2-[1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid

C12H17N5O4 — CID 65231671

IUPAC2-[1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)NCCN1C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C12H17N5O4/c18-10(19)5-9-11(20)14-3-4-17(9)12(21)15-2-1-8-6-13-7-16-8/h6-7,9H,1-5H2,(H,13,16)(H,14,20)(H,15,21)(H,18,19)
InChIKeyUPEYORCWVYCKTI-UHFFFAOYSA-N
MW295.30 g/mol
LogP-1.06
Rot. Bonds5

About 2-[1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid

2-[1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid (PubChem CID 65231671) has the molecular formula C12H17N5O4 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid
PubChem CID65231671
Molecular FormulaC12H17N5O4
Molecular Weight295.30 g/mol
Exact Mass295.13
IUPAC Name2-[1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)NCCN1C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C12H17N5O4/c18-10(19)5-9-11(20)14-3-4-17(9)12(21)15-2-1-8-6-13-7-16-8/h6-7,9H,1-5H2,(H,13,16)(H,14,20)(H,15,21)(H,18,19)
InChIKeyUPEYORCWVYCKTI-UHFFFAOYSA-N
XLogP-1.06
TPSA127.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(carbamoylamino)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid
CID 83114279
(2R)-1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 65231667
2-[3-oxo-1-(pent-3-ynylcarbamoyl)piperazin-2-yl]acetic acid
CID 116644810
1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 65231437
2-[1-(2-chloroprop-2-enylcarbamoyl)-3-oxopiperazin-2-yl]acetic acid
CID 113464816
N-[2-(1H-imidazol-5-yl)ethyl]-7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxamide
CID 119064340
1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 65231065
(3R)-3-ethenyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-1-carboxamide
CID 126446909
2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 119074318
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
2-[1-(3-methoxypyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 105063202
N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64982967

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid (CID 65231671) is 2-[1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid is O=C(O)CC1C(=O)NCCN1C(=O)NCCc1cnc[nH]1.
What is the InChIKey of 2-[1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is UPEYORCWVYCKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O4/c18-10(19)5-9-11(20)14-3-4-17(9)12(21)15-2-1-8-6-13-7-16-8/h6-7,9H,1-5H2,(H,13,16)(H,14,20)(H,15,21)(H,18,19).
What are the key properties of 2-[1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid?
2-[1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 295.30 g/mol, XLogP of -1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 65231671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).