4-(diaminomethylideneamino)-2-hydroxy-3-methylcyclopentane-1-carboxylic acid

C8H15N3O3 — CID 123669819

IUPAC4-(diaminomethylideneamino)-2-hydroxy-3-methylcyclopentane-1-carboxylic acid
SMILESCC1C(N=C(N)N)CC(C(=O)O)C1O
InChIInChI=1S/C8H15N3O3/c1-3-5(11-8(9)10)2-4(6(3)12)7(13)14/h3-6,12H,2H2,1H3,(H,13,14)(H4,9,10,11)
InChIKeyVYCQITKRPYTTEP-UHFFFAOYSA-N
MW201.23 g/mol
LogP-1.27
Rot. Bonds2

About 4-(diaminomethylideneamino)-2-hydroxy-3-methylcyclopentane-1-carboxylic acid

4-(diaminomethylideneamino)-2-hydroxy-3-methylcyclopentane-1-carboxylic acid (PubChem CID 123669819) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-(diaminomethylideneamino)-2-hydroxy-3-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-(diaminomethylideneamino)-2-hydroxy-3-methylcyclopentane-1-carboxylic acid
PubChem CID123669819
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name4-(diaminomethylideneamino)-2-hydroxy-3-methylcyclopentane-1-carboxylic acid
SMILESCC1C(N=C(N)N)CC(C(=O)O)C1O
InChIInChI=1S/C8H15N3O3/c1-3-5(11-8(9)10)2-4(6(3)12)7(13)14/h3-6,12H,2H2,1H3,(H,13,14)(H4,9,10,11)
InChIKeyVYCQITKRPYTTEP-UHFFFAOYSA-N
XLogP-1.27
TPSA121.93 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

(1S,2S,3S,4R)-3-[(1S)-1-amino-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid
CID 24876038
(1S,2S,3S,4R)-3-[(3S)-6-amino-4-ethyl-2-oxohexan-3-yl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid
CID 174580183
(1R,2R,3R,4S)-3-(1-acetamido-2-ethylbutyl)-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid
CID 15954391
cis-(3S,4R)-3-(1-acetamido-2-ethylbutyl)-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid
CID 56603762
(3R)-3-(1-acetamido-2-ethylbutyl)-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid
CID 129317861
(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid;trihydrate
CID 11954371
(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid;2-aminoacetic acid
CID 24875852
2,3-dihydroxycyclobutane-1-carboxylic acid
CID 174933453
(1R,2S,3S,4S)-2,3,4-trimethylcyclopentane-1-carboxylic acid
CID 44722597
cis-(1S,3R)-3-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
CID 68554300
(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 24876130
3-hydroxy-2-methylcyclopentane-1-carboxylic acid
CID 55301199

Frequently Asked Questions

What is the IUPAC name of 4-(diaminomethylideneamino)-2-hydroxy-3-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 4-(diaminomethylideneamino)-2-hydroxy-3-methylcyclopentane-1-carboxylic acid (CID 123669819) is 4-(diaminomethylideneamino)-2-hydroxy-3-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-(diaminomethylideneamino)-2-hydroxy-3-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 4-(diaminomethylideneamino)-2-hydroxy-3-methylcyclopentane-1-carboxylic acid is CC1C(N=C(N)N)CC(C(=O)O)C1O.
What is the InChIKey of 4-(diaminomethylideneamino)-2-hydroxy-3-methylcyclopentane-1-carboxylic acid?
The InChIKey is VYCQITKRPYTTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-3-5(11-8(9)10)2-4(6(3)12)7(13)14/h3-6,12H,2H2,1H3,(H,13,14)(H4,9,10,11).
What are the key properties of 4-(diaminomethylideneamino)-2-hydroxy-3-methylcyclopentane-1-carboxylic acid?
4-(diaminomethylideneamino)-2-hydroxy-3-methylcyclopentane-1-carboxylic acid has a molecular weight of 201.23 g/mol, XLogP of -1.27, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diaminomethylideneamino)-2-hydroxy-3-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 123669819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).