2-[carbamimidoyl(methyl)amino]-2-(2-hydroxypropanoyloxy)acetic acid

C7H13N3O5 — CID 141283328

IUPAC2-[carbamimidoyl(methyl)amino]-2-(2-hydroxypropanoyloxy)acetic acid
SMILES[H]/N=C(\N)N(C)C(OC(=O)C(C)O)C(=O)O
InChIInChI=1S/C7H13N3O5/c1-3(11)6(14)15-4(5(12)13)10(2)7(8)9/h3-4,11H,1-2H3,(H3,8,9)(H,12,13)
InChIKeyWABSIWKHFGWDKJ-UHFFFAOYSA-N
MW219.20 g/mol
LogP-1.85
Rot. Bonds4

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

2-[carbamimidoyl(methyl)amino]-2-(2-hydroxypropanoyloxy)acetic acid (PubChem CID 141283328) has the molecular formula C7H13N3O5 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-[carbamimidoyl(methyl)amino]-2-(2-hydroxypropanoyloxy)acetic acid.

Molecular Properties

Compound Name2-[carbamimidoyl(methyl)amino]-2-(2-hydroxypropanoyloxy)acetic acid
PubChem CID141283328
Molecular FormulaC7H13N3O5
Molecular Weight219.20 g/mol
Exact Mass219.09
IUPAC Name2-[carbamimidoyl(methyl)amino]-2-(2-hydroxypropanoyloxy)acetic acid
SMILES[H]/N=C(\N)N(C)C(OC(=O)C(C)O)C(=O)O
InChIInChI=1S/C7H13N3O5/c1-3(11)6(14)15-4(5(12)13)10(2)7(8)9/h3-4,11H,1-2H3,(H3,8,9)(H,12,13)
InChIKeyWABSIWKHFGWDKJ-UHFFFAOYSA-N
XLogP-1.85
TPSA136.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(1-hydroxyethyl)-1-methylguanidine
CID 21449246
2-[carbamimidoyl(methyl)amino]-3,3,3-trideuteriopropanoic acid
CID 176514595
2-[carbamimidoyl(methyl)amino]-2-sulfoacetic acid
CID 140979869
2-[carbamimidoyl(methyl)amino]but-3-enoic acid
CID 175022605
3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid
CID 46892505
2-[amino(carbamimidoyl)amino]propanoic acid
CID 21123865
2-[(2R)-2-hydroxypropanoyl]oxypropanoic acid
CID 54178313
(2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid
CID 139060964
2-[carbamimidoyl(methyl)amino]acetic acid;2-hydroxypropanoic acid;4-methoxy-4-oxobutanoic acid
CID 131964074
potassium;hydride;2-(2-hydroxypropanoyloxy)propanoic acid
CID 173006474
5-amino-5-[carbamimidoyl(methyl)amino]pentanoic acid
CID 174812076
N,N-dimethylmethanamine;2-hydroxypropanoic acid
CID 173198650

Frequently Asked Questions

What is the IUPAC name of 2-[carbamimidoyl(methyl)amino]-2-(2-hydroxypropanoyloxy)acetic acid?
The IUPAC name of 2-[carbamimidoyl(methyl)amino]-2-(2-hydroxypropanoyloxy)acetic acid (CID 141283328) is 2-[carbamimidoyl(methyl)amino]-2-(2-hydroxypropanoyloxy)acetic acid.
What is the SMILES notation for 2-[carbamimidoyl(methyl)amino]-2-(2-hydroxypropanoyloxy)acetic acid?
The canonical SMILES for 2-[carbamimidoyl(methyl)amino]-2-(2-hydroxypropanoyloxy)acetic acid is [H]/N=C(\N)N(C)C(OC(=O)C(C)O)C(=O)O.
What is the InChIKey of 2-[carbamimidoyl(methyl)amino]-2-(2-hydroxypropanoyloxy)acetic acid?
The InChIKey is WABSIWKHFGWDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O5/c1-3(11)6(14)15-4(5(12)13)10(2)7(8)9/h3-4,11H,1-2H3,(H3,8,9)(H,12,13).
What are the key properties of 2-[carbamimidoyl(methyl)amino]-2-(2-hydroxypropanoyloxy)acetic acid?
2-[carbamimidoyl(methyl)amino]-2-(2-hydroxypropanoyloxy)acetic acid has a molecular weight of 219.20 g/mol, XLogP of -1.85, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamimidoyl(methyl)amino]-2-(2-hydroxypropanoyloxy)acetic acid is sourced from PubChem (CID 141283328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).