[amino-[4-[(2R)-2,3-diamino-3-oxopropyl]phenyl]methylidene]azanium

C10H15N4O+ — CID 16740996

IUPAC[amino-[4-[(2R)-2,3-diamino-3-oxopropyl]phenyl]methylidene]azanium
SMILESNC(=[NH2+])c1ccc(C[C@@H](N)C(N)=O)cc1
InChIInChI=1S/C10H14N4O/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H3,12,13)(H2,14,15)/p+1/t8-/m1/s1
InChIKeyRIBOZFDUYGSFPW-MRVPVSSYSA-O
MW207.26 g/mol
LogP-2.49
Rot. Bonds4

About [amino-[4-[(2R)-2,3-diamino-3-oxopropyl]phenyl]methylidene]azanium

[amino-[4-[(2R)-2,3-diamino-3-oxopropyl]phenyl]methylidene]azanium (PubChem CID 16740996) has the molecular formula C10H15N4O+ and a molecular weight of 207.26 g/mol. Its IUPAC name is [amino-[4-[(2R)-2,3-diamino-3-oxopropyl]phenyl]methylidene]azanium.

Molecular Properties

Compound Name[amino-[4-[(2R)-2,3-diamino-3-oxopropyl]phenyl]methylidene]azanium
PubChem CID16740996
Molecular FormulaC10H15N4O+
Molecular Weight207.26 g/mol
Exact Mass207.12
IUPAC Name[amino-[4-[(2R)-2,3-diamino-3-oxopropyl]phenyl]methylidene]azanium
SMILESNC(=[NH2+])c1ccc(C[C@@H](N)C(N)=O)cc1
InChIInChI=1S/C10H14N4O/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H3,12,13)(H2,14,15)/p+1/t8-/m1/s1
InChIKeyRIBOZFDUYGSFPW-MRVPVSSYSA-O
XLogP-2.49
TPSA120.72 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 5-2.49
H-Bond Donors ≤ 54
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

(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide
CID 174991066
2-amino-3-(4-methylphenyl)propanamide
CID 18981163
2-amino-3-(4-propan-2-ylphenyl)propanamide
CID 64990650
bis(2-amino-3-(4-hydroxyphenyl)propanamide);2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 67902185
cobalt(2+);4-[(2S)-2,3-diamino-3-oxopropyl]phenolate;hydrogen carbonate
CID 11500383
(2R)-2-amino-3-(3,4-dihydroxyphenyl)propanamide
CID 14274714
2-amino-3-(4-butan-2-ylphenyl)propanamide
CID 116850831
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-phenylpropanamide
CID 67854900
2-[4-[(2S)-2,3-diamino-3-oxopropyl]phenoxy]acetic acid
CID 170184313
(2S)-2-amino-3-(4-trimethylsilyloxyphenyl)propanamide
CID 167723544
[4-(2,3-diamino-3-oxopropyl)phenyl] hydrogen phosphate
CID 59010907

Frequently Asked Questions

What is the IUPAC name of [amino-[4-[(2R)-2,3-diamino-3-oxopropyl]phenyl]methylidene]azanium?
The IUPAC name of [amino-[4-[(2R)-2,3-diamino-3-oxopropyl]phenyl]methylidene]azanium (CID 16740996) is [amino-[4-[(2R)-2,3-diamino-3-oxopropyl]phenyl]methylidene]azanium.
What is the SMILES notation for [amino-[4-[(2R)-2,3-diamino-3-oxopropyl]phenyl]methylidene]azanium?
The canonical SMILES for [amino-[4-[(2R)-2,3-diamino-3-oxopropyl]phenyl]methylidene]azanium is NC(=[NH2+])c1ccc(C[C@@H](N)C(N)=O)cc1.
What is the InChIKey of [amino-[4-[(2R)-2,3-diamino-3-oxopropyl]phenyl]methylidene]azanium?
The InChIKey is RIBOZFDUYGSFPW-MRVPVSSYSA-O. The full InChI is InChI=1S/C10H14N4O/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H3,12,13)(H2,14,15)/p+1/t8-/m1/s1.
What are the key properties of [amino-[4-[(2R)-2,3-diamino-3-oxopropyl]phenyl]methylidene]azanium?
[amino-[4-[(2R)-2,3-diamino-3-oxopropyl]phenyl]methylidene]azanium has a molecular weight of 207.26 g/mol, XLogP of -2.49, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[4-[(2R)-2,3-diamino-3-oxopropyl]phenyl]methylidene]azanium is sourced from PubChem (CID 16740996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).