2-[carbamimidoyl(methyl)amino]acetic acid;chromium

C4H9CrN3O2 — CID 174525318

IUPAC2-[carbamimidoyl(methyl)amino]acetic acid;chromium
SMILES[Cr].[H]/N=C(\N)N(C)CC(=O)O
InChIInChI=1S/C4H9N3O2.Cr/c1-7(4(5)6)2-3(8)9;/h2H2,1H3,(H3,5,6)(H,8,9);
InChIKeyUKFGMPUDDGLPIH-UHFFFAOYSA-N
MW183.13 g/mol
LogP-1.11
Rot. Bonds2

About 2-[carbamimidoyl(methyl)amino]acetic acid;chromium

2-[carbamimidoyl(methyl)amino]acetic acid;chromium (PubChem CID 174525318) has the molecular formula C4H9CrN3O2 and a molecular weight of 183.13 g/mol. Its IUPAC name is 2-[carbamimidoyl(methyl)amino]acetic acid;chromium.

Molecular Properties

Compound Name2-[carbamimidoyl(methyl)amino]acetic acid;chromium
PubChem CID174525318
Molecular FormulaC4H9CrN3O2
Molecular Weight183.13 g/mol
Exact Mass183.01
IUPAC Name2-[carbamimidoyl(methyl)amino]acetic acid;chromium
SMILES[Cr].[H]/N=C(\N)N(C)CC(=O)O
InChIInChI=1S/C4H9N3O2.Cr/c1-7(4(5)6)2-3(8)9;/h2H2,1H3,(H3,5,6)(H,8,9);
InChIKeyUKFGMPUDDGLPIH-UHFFFAOYSA-N
XLogP-1.11
TPSA90.41 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-[carbamimidoyl(methyl)amino]acetic acid;carbonic acid
CID 87214776
potassium;2-[carbamimidoyl(methyl)amino]acetic acid;hydride
CID 173111942
2-[carbamimidoyl(methyl)amino]acetic acid;propanedioic acid
CID 139530070
2-[carbamimidoyl(methyl)amino]acetic acid;formic acid
CID 10285829
trisodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);phosphate
CID 175308633
sodium;2-[carbamimidoyl(methyl)amino]acetic acid;2-oxopropanoate
CID 23721155
disodium;bis(2-[carbamimidoyl(methyl)amino]acetic acid);hydrogen phosphate
CID 175418807
2-[carbamimidoyl(methyl)amino]acetic acid;2-hydroxybutanedioic acid
CID 10355479
2-aminobutanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid
CID 10286051
2-[carbamimidoyl(methyl)amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 130366910
(2S)-2-aminopentanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid
CID 87803382
2-[carbamimidoyl(methyl)amino]acetic acid;2-hydroxybutanedioate
CID 171391165

Frequently Asked Questions

What is the IUPAC name of 2-[carbamimidoyl(methyl)amino]acetic acid;chromium?
The IUPAC name of 2-[carbamimidoyl(methyl)amino]acetic acid;chromium (CID 174525318) is 2-[carbamimidoyl(methyl)amino]acetic acid;chromium.
What is the SMILES notation for 2-[carbamimidoyl(methyl)amino]acetic acid;chromium?
The canonical SMILES for 2-[carbamimidoyl(methyl)amino]acetic acid;chromium is [Cr].[H]/N=C(\N)N(C)CC(=O)O.
What is the InChIKey of 2-[carbamimidoyl(methyl)amino]acetic acid;chromium?
The InChIKey is UKFGMPUDDGLPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2.Cr/c1-7(4(5)6)2-3(8)9;/h2H2,1H3,(H3,5,6)(H,8,9);.
What are the key properties of 2-[carbamimidoyl(methyl)amino]acetic acid;chromium?
2-[carbamimidoyl(methyl)amino]acetic acid;chromium has a molecular weight of 183.13 g/mol, XLogP of -1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamimidoyl(methyl)amino]acetic acid;chromium is sourced from PubChem (CID 174525318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).