2,2,3,3,5-pentaamino-4-hydroxy-5-iminopentanoic acid

C5H14N6O3 — CID 91357310

IUPAC2,2,3,3,5-pentaamino-4-hydroxy-5-iminopentanoic acid
SMILES[H]/N=C(\N)C(O)C(N)(N)C(N)(N)C(=O)O
InChIInChI=1S/C5H14N6O3/c6-2(7)1(12)4(8,9)5(10,11)3(13)14/h1,12H,8-11H2,(H3,6,7)(H,13,14)
InChIKeyQIBWBUANNJCITD-UHFFFAOYSA-N
MW206.21 g/mol
LogP-4.40
Rot. Bonds4

About 2,2,3,3,5-pentaamino-4-hydroxy-5-iminopentanoic acid

2,2,3,3,5-pentaamino-4-hydroxy-5-iminopentanoic acid (PubChem CID 91357310) has the molecular formula C5H14N6O3 and a molecular weight of 206.21 g/mol. Its IUPAC name is 2,2,3,3,5-pentaamino-4-hydroxy-5-iminopentanoic acid.

Molecular Properties

Compound Name2,2,3,3,5-pentaamino-4-hydroxy-5-iminopentanoic acid
PubChem CID91357310
Molecular FormulaC5H14N6O3
Molecular Weight206.21 g/mol
Exact Mass206.11
IUPAC Name2,2,3,3,5-pentaamino-4-hydroxy-5-iminopentanoic acid
SMILES[H]/N=C(\N)C(O)C(N)(N)C(N)(N)C(=O)O
InChIInChI=1S/C5H14N6O3/c6-2(7)1(12)4(8,9)5(10,11)3(13)14/h1,12H,8-11H2,(H3,6,7)(H,13,14)
InChIKeyQIBWBUANNJCITD-UHFFFAOYSA-N
XLogP-4.40
TPSA211.48 Ų
H-Bond Donors8
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.21
LogP ≤ 5-4.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 107

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

2,5-dioxohexane-1,1,6,6-tetracarboximidamide
CID 87475133
2,3,4-triamino-4-iminobutanoic acid
CID 89049146
2-methylpropanimidamide;hydrochloride
CID 2782053
[(2S)-4-amino-3-hydroxy-4-iminobutan-2-yl]carbamic acid
CID 118525619
2,3-diamino-2-(aminomethyl)-3-iminopropanoic acid
CID 123261205
3-amino-3-imino-2-methoxypropanoic acid
CID 87737958
(3-amino-2-carbamimidoyl-3-iminopropyl)carbamic acid
CID 141220669
(2R)-2-hydroxypropanimidamide;hydrochloride
CID 42614222
3-amino-2-[[(3-amino-2-carboxy-3-iminopropyl)diazenyl]methyl]-3-iminopropanoic acid;hydrochloride
CID 87498740
(4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate
CID 175155261
(4-amino-4-imino-2,3-dimethylbutan-2-yl) carbamate
CID 174596017
4-carbamimidoyl-5-methylhexanoic acid
CID 141366618

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5-pentaamino-4-hydroxy-5-iminopentanoic acid?
The IUPAC name of 2,2,3,3,5-pentaamino-4-hydroxy-5-iminopentanoic acid (CID 91357310) is 2,2,3,3,5-pentaamino-4-hydroxy-5-iminopentanoic acid.
What is the SMILES notation for 2,2,3,3,5-pentaamino-4-hydroxy-5-iminopentanoic acid?
The canonical SMILES for 2,2,3,3,5-pentaamino-4-hydroxy-5-iminopentanoic acid is [H]/N=C(\N)C(O)C(N)(N)C(N)(N)C(=O)O.
What is the InChIKey of 2,2,3,3,5-pentaamino-4-hydroxy-5-iminopentanoic acid?
The InChIKey is QIBWBUANNJCITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N6O3/c6-2(7)1(12)4(8,9)5(10,11)3(13)14/h1,12H,8-11H2,(H3,6,7)(H,13,14).
What are the key properties of 2,2,3,3,5-pentaamino-4-hydroxy-5-iminopentanoic acid?
2,2,3,3,5-pentaamino-4-hydroxy-5-iminopentanoic acid has a molecular weight of 206.21 g/mol, XLogP of -4.40, 4 rotatable bonds, 8 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5-pentaamino-4-hydroxy-5-iminopentanoic acid is sourced from PubChem (CID 91357310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).