5-[amino(carbamoyl)amino]-2-[[amino(carbamoyl)amino]methyl]pentanoic acid;dihydrochloride

C8H20Cl2N6O4 — CID 174417262

IUPAC5-[amino(carbamoyl)amino]-2-[[amino(carbamoyl)amino]methyl]pentanoic acid;dihydrochloride
SMILESCl.Cl.NC(=O)N(N)CCCC(CN(N)C(N)=O)C(=O)O
InChIInChI=1S/C8H18N6O4.2ClH/c9-7(17)13(11)3-1-2-5(6(15)16)4-14(12)8(10)18;;/h5H,1-4,11-12H2,(H2,9,17)(H2,10,18)(H,15,16);2*1H
InChIKeyIFPVSTCBGXSNMZ-UHFFFAOYSA-N
MW335.19 g/mol
LogP-1.18
Rot. Bonds7

About 5-[amino(carbamoyl)amino]-2-[[amino(carbamoyl)amino]methyl]pentanoic acid;dihydrochloride

5-[amino(carbamoyl)amino]-2-[[amino(carbamoyl)amino]methyl]pentanoic acid;dihydrochloride (PubChem CID 174417262) has the molecular formula C8H20Cl2N6O4 and a molecular weight of 335.19 g/mol. Its IUPAC name is 5-[amino(carbamoyl)amino]-2-[[amino(carbamoyl)amino]methyl]pentanoic acid;dihydrochloride.

Molecular Properties

Compound Name5-[amino(carbamoyl)amino]-2-[[amino(carbamoyl)amino]methyl]pentanoic acid;dihydrochloride
PubChem CID174417262
Molecular FormulaC8H20Cl2N6O4
Molecular Weight335.19 g/mol
Exact Mass334.09
IUPAC Name5-[amino(carbamoyl)amino]-2-[[amino(carbamoyl)amino]methyl]pentanoic acid;dihydrochloride
SMILESCl.Cl.NC(=O)N(N)CCCC(CN(N)C(N)=O)C(=O)O
InChIInChI=1S/C8H18N6O4.2ClH/c9-7(17)13(11)3-1-2-5(6(15)16)4-14(12)8(10)18;;/h5H,1-4,11-12H2,(H2,9,17)(H2,10,18)(H,15,16);2*1H
InChIKeyIFPVSTCBGXSNMZ-UHFFFAOYSA-N
XLogP-1.18
TPSA182.00 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 5-1.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-1-[5-[amino(carbamoyl)amino]pentyl]urea;dihydrochloride
CID 174463274
1-amino-1-[28-[amino(carbamoyl)amino]octacosyl]urea
CID 174875426
1-amino-1-[10-[amino(carbamoyl)amino]-5-hydroxydecyl]urea
CID 174619807
1-amino-1-[3-[3-[amino(carbamoyl)amino]propylamino]propyl]urea
CID 174815065
2,7-bis(11-methyldodecyl)octanedioic acid
CID 175152191
2-[[amino(3-methylbutanoyl)amino]methyl]-5-methyloctanoic acid
CID 87610154
1-amino-1-[5-[amino(carbamoyl)amino]-3-oxopentyl]urea
CID 174870360
1-amino-1-[5-[amino(carbamoyl)amino]-2-methylpentyl]urea;3,3,5-trimethylcyclohexan-1-amine
CID 174868456
2,5-bis[amino(carbamoyl)amino]-2-(difluoromethyl)pentanoic acid
CID 174452815
2-[(dimethylamino)methyl]-6,6-dimethyldecanoic acid
CID 89012096
2-(5-methylhexyl)butanedioic acid
CID 174966499
azane;2,7-dibutyloctanedioic acid
CID 174821009

Frequently Asked Questions

What is the IUPAC name of 5-[amino(carbamoyl)amino]-2-[[amino(carbamoyl)amino]methyl]pentanoic acid;dihydrochloride?
The IUPAC name of 5-[amino(carbamoyl)amino]-2-[[amino(carbamoyl)amino]methyl]pentanoic acid;dihydrochloride (CID 174417262) is 5-[amino(carbamoyl)amino]-2-[[amino(carbamoyl)amino]methyl]pentanoic acid;dihydrochloride.
What is the SMILES notation for 5-[amino(carbamoyl)amino]-2-[[amino(carbamoyl)amino]methyl]pentanoic acid;dihydrochloride?
The canonical SMILES for 5-[amino(carbamoyl)amino]-2-[[amino(carbamoyl)amino]methyl]pentanoic acid;dihydrochloride is Cl.Cl.NC(=O)N(N)CCCC(CN(N)C(N)=O)C(=O)O.
What is the InChIKey of 5-[amino(carbamoyl)amino]-2-[[amino(carbamoyl)amino]methyl]pentanoic acid;dihydrochloride?
The InChIKey is IFPVSTCBGXSNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N6O4.2ClH/c9-7(17)13(11)3-1-2-5(6(15)16)4-14(12)8(10)18;;/h5H,1-4,11-12H2,(H2,9,17)(H2,10,18)(H,15,16);2*1H.
What are the key properties of 5-[amino(carbamoyl)amino]-2-[[amino(carbamoyl)amino]methyl]pentanoic acid;dihydrochloride?
5-[amino(carbamoyl)amino]-2-[[amino(carbamoyl)amino]methyl]pentanoic acid;dihydrochloride has a molecular weight of 335.19 g/mol, XLogP of -1.18, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(carbamoyl)amino]-2-[[amino(carbamoyl)amino]methyl]pentanoic acid;dihydrochloride is sourced from PubChem (CID 174417262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).