[2-amino-5-(2-formamidoethyl)phenyl] carbamate

C10H13N3O3 — CID 123171973

IUPAC[2-amino-5-(2-formamidoethyl)phenyl] carbamate
SMILESNC(=O)Oc1cc(CCNC=O)ccc1N
InChIInChI=1S/C10H13N3O3/c11-8-2-1-7(3-4-13-6-14)5-9(8)16-10(12)15/h1-2,5-6H,3-4,11H2,(H2,12,15)(H,13,14)
InChIKeyYJIHBGUYWAISCD-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.01
Rot. Bonds5

About [2-amino-5-(2-formamidoethyl)phenyl] carbamate

[2-amino-5-(2-formamidoethyl)phenyl] carbamate (PubChem CID 123171973) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is [2-amino-5-(2-formamidoethyl)phenyl] carbamate.

Molecular Properties

Compound Name[2-amino-5-(2-formamidoethyl)phenyl] carbamate
PubChem CID123171973
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name[2-amino-5-(2-formamidoethyl)phenyl] carbamate
SMILESNC(=O)Oc1cc(CCNC=O)ccc1N
InChIInChI=1S/C10H13N3O3/c11-8-2-1-7(3-4-13-6-14)5-9(8)16-10(12)15/h1-2,5-6H,3-4,11H2,(H2,12,15)(H,13,14)
InChIKeyYJIHBGUYWAISCD-UHFFFAOYSA-N
XLogP0.01
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.01
H-Bond Donors ≤ 53
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]propyl]formamide
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N-(2-naphthalen-2-ylethyl)formamide
CID 12581518
tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate
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[4-(2-aminoethyl)-2-methoxyphenyl] carbamate
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N-[2-(4-nitrophenyl)ethyl]formamide
CID 64992334
methane;N-(2-phenylethyl)formamide
CID 143644399
[4-[2-(carbamoylamino)ethyl]-2-propanoyloxyphenyl] propanoate
CID 68919389
ethanamine;N-(2-phenylethyl)formamide;propane
CID 143077311
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Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(2-formamidoethyl)phenyl] carbamate?
The IUPAC name of [2-amino-5-(2-formamidoethyl)phenyl] carbamate (CID 123171973) is [2-amino-5-(2-formamidoethyl)phenyl] carbamate.
What is the SMILES notation for [2-amino-5-(2-formamidoethyl)phenyl] carbamate?
The canonical SMILES for [2-amino-5-(2-formamidoethyl)phenyl] carbamate is NC(=O)Oc1cc(CCNC=O)ccc1N.
What is the InChIKey of [2-amino-5-(2-formamidoethyl)phenyl] carbamate?
The InChIKey is YJIHBGUYWAISCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c11-8-2-1-7(3-4-13-6-14)5-9(8)16-10(12)15/h1-2,5-6H,3-4,11H2,(H2,12,15)(H,13,14).
What are the key properties of [2-amino-5-(2-formamidoethyl)phenyl] carbamate?
[2-amino-5-(2-formamidoethyl)phenyl] carbamate has a molecular weight of 223.23 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(2-formamidoethyl)phenyl] carbamate is sourced from PubChem (CID 123171973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).