N-[[[formamidomethylcarbamoyl(methyl)carbamoyl]amino]methyl]formamide

C7H13N5O4 — CID 58265222

IUPACN-[[[formamidomethylcarbamoyl(methyl)carbamoyl]amino]methyl]formamide
SMILESCN(C(=O)NCNC=O)C(=O)NCNC=O
InChIInChI=1S/C7H13N5O4/c1-12(6(15)10-2-8-4-13)7(16)11-3-9-5-14/h4-5H,2-3H2,1H3,(H,8,13)(H,9,14)(H,10,15)(H,11,16)
InChIKeyDSMOUPDCJVVTJE-UHFFFAOYSA-N
MW231.21 g/mol
LogP-2.26
Rot. Bonds6

About N-[[[formamidomethylcarbamoyl(methyl)carbamoyl]amino]methyl]formamide

N-[[[formamidomethylcarbamoyl(methyl)carbamoyl]amino]methyl]formamide (PubChem CID 58265222) has the molecular formula C7H13N5O4 and a molecular weight of 231.21 g/mol. Its IUPAC name is N-[[[formamidomethylcarbamoyl(methyl)carbamoyl]amino]methyl]formamide.

Molecular Properties

Compound NameN-[[[formamidomethylcarbamoyl(methyl)carbamoyl]amino]methyl]formamide
PubChem CID58265222
Molecular FormulaC7H13N5O4
Molecular Weight231.21 g/mol
Exact Mass231.10
IUPAC NameN-[[[formamidomethylcarbamoyl(methyl)carbamoyl]amino]methyl]formamide
SMILESCN(C(=O)NCNC=O)C(=O)NCNC=O
InChIInChI=1S/C7H13N5O4/c1-12(6(15)10-2-8-4-13)7(16)11-3-9-5-14/h4-5H,2-3H2,1H3,(H,8,13)(H,9,14)(H,10,15)(H,11,16)
InChIKeyDSMOUPDCJVVTJE-UHFFFAOYSA-N
XLogP-2.26
TPSA119.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 5-2.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[[formamidomethylcarbamoyl(methyl)carbamoyl]amino]methyl]formamide?
The IUPAC name of N-[[[formamidomethylcarbamoyl(methyl)carbamoyl]amino]methyl]formamide (CID 58265222) is N-[[[formamidomethylcarbamoyl(methyl)carbamoyl]amino]methyl]formamide.
What is the SMILES notation for N-[[[formamidomethylcarbamoyl(methyl)carbamoyl]amino]methyl]formamide?
The canonical SMILES for N-[[[formamidomethylcarbamoyl(methyl)carbamoyl]amino]methyl]formamide is CN(C(=O)NCNC=O)C(=O)NCNC=O.
What is the InChIKey of N-[[[formamidomethylcarbamoyl(methyl)carbamoyl]amino]methyl]formamide?
The InChIKey is DSMOUPDCJVVTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O4/c1-12(6(15)10-2-8-4-13)7(16)11-3-9-5-14/h4-5H,2-3H2,1H3,(H,8,13)(H,9,14)(H,10,15)(H,11,16).
What are the key properties of N-[[[formamidomethylcarbamoyl(methyl)carbamoyl]amino]methyl]formamide?
N-[[[formamidomethylcarbamoyl(methyl)carbamoyl]amino]methyl]formamide has a molecular weight of 231.21 g/mol, XLogP of -2.26, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[formamidomethylcarbamoyl(methyl)carbamoyl]amino]methyl]formamide is sourced from PubChem (CID 58265222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).