2-[(4-carbamimidoylpiperazine-1-carbonyl)amino]acetic acid

C8H15N5O3 — CID 54124814

IUPAC2-[(4-carbamimidoylpiperazine-1-carbonyl)amino]acetic acid
SMILES[H]/N=C(\N)N1CCN(C(=O)NCC(=O)O)CC1
InChIInChI=1S/C8H15N5O3/c9-7(10)12-1-3-13(4-2-12)8(16)11-5-6(14)15/h1-5H2,(H3,9,10)(H,11,16)(H,14,15)
InChIKeyNQEVLELWHMHQTM-UHFFFAOYSA-N
MW229.24 g/mol
LogP-1.71
Rot. Bonds2

About 2-[(4-carbamimidoylpiperazine-1-carbonyl)amino]acetic acid

2-[(4-carbamimidoylpiperazine-1-carbonyl)amino]acetic acid (PubChem CID 54124814) has the molecular formula C8H15N5O3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-[(4-carbamimidoylpiperazine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-carbamimidoylpiperazine-1-carbonyl)amino]acetic acid
PubChem CID54124814
Molecular FormulaC8H15N5O3
Molecular Weight229.24 g/mol
Exact Mass229.12
IUPAC Name2-[(4-carbamimidoylpiperazine-1-carbonyl)amino]acetic acid
SMILES[H]/N=C(\N)N1CCN(C(=O)NCC(=O)O)CC1
InChIInChI=1S/C8H15N5O3/c9-7(10)12-1-3-13(4-2-12)8(16)11-5-6(14)15/h1-5H2,(H3,9,10)(H,11,16)(H,14,15)
InChIKeyNQEVLELWHMHQTM-UHFFFAOYSA-N
XLogP-1.71
TPSA122.75 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(azocane-1-carbonylamino)acetic acid
CID 43445649
2-(morpholine-4-carbonylamino)acetic acid
CID 18917961
4-acetylpiperazine-1-carboximidamide;hydrochloride
CID 66718935
2-[(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid
CID 63162157
2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid
CID 62992600
4-(2,2-dimethylpropanoyl)piperazine-1-carboximidamide
CID 66718761
2-[(3-hydroxyazetidine-1-carbonyl)amino]acetic acid
CID 130879135
bis(4-methylpiperazine-1-carboximidamide);sulfate
CID 20848838
2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61206204
1-carbamimidoyl-4-methylpiperidine-4-carboxylic acid
CID 123572540
4-methyl-1,4-diazepane-1-carboximidamide
CID 43209360
4-propylpiperazine-1-carboximidamide
CID 18176782

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamimidoylpiperazine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-carbamimidoylpiperazine-1-carbonyl)amino]acetic acid (CID 54124814) is 2-[(4-carbamimidoylpiperazine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-carbamimidoylpiperazine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-carbamimidoylpiperazine-1-carbonyl)amino]acetic acid is [H]/N=C(\N)N1CCN(C(=O)NCC(=O)O)CC1.
What is the InChIKey of 2-[(4-carbamimidoylpiperazine-1-carbonyl)amino]acetic acid?
The InChIKey is NQEVLELWHMHQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3/c9-7(10)12-1-3-13(4-2-12)8(16)11-5-6(14)15/h1-5H2,(H3,9,10)(H,11,16)(H,14,15).
What are the key properties of 2-[(4-carbamimidoylpiperazine-1-carbonyl)amino]acetic acid?
2-[(4-carbamimidoylpiperazine-1-carbonyl)amino]acetic acid has a molecular weight of 229.24 g/mol, XLogP of -1.71, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamimidoylpiperazine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 54124814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).