5-(diaminomethylamino)-2-(methylamino)pentanoic acid

C7H18N4O2 — CID 134576168

IUPAC5-(diaminomethylamino)-2-(methylamino)pentanoic acid
SMILESCNC(CCCNC(N)N)C(=O)O
InChIInChI=1S/C7H18N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,7,10-11H,2-4,8-9H2,1H3,(H,12,13)
InChIKeyJSMIHHZTQYCUHZ-UHFFFAOYSA-N
MW190.25 g/mol
LogP-1.77
Rot. Bonds7

About 5-(diaminomethylamino)-2-(methylamino)pentanoic acid

5-(diaminomethylamino)-2-(methylamino)pentanoic acid (PubChem CID 134576168) has the molecular formula C7H18N4O2 and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-(diaminomethylamino)-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name5-(diaminomethylamino)-2-(methylamino)pentanoic acid
PubChem CID134576168
Molecular FormulaC7H18N4O2
Molecular Weight190.25 g/mol
Exact Mass190.14
IUPAC Name5-(diaminomethylamino)-2-(methylamino)pentanoic acid
SMILESCNC(CCCNC(N)N)C(=O)O
InChIInChI=1S/C7H18N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,7,10-11H,2-4,8-9H2,1H3,(H,12,13)
InChIKeyJSMIHHZTQYCUHZ-UHFFFAOYSA-N
XLogP-1.77
TPSA113.40 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 5-1.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-5-(propan-2-ylamino)pentanoic acid
CID 168758875
(2S)-6-amino-2-(methylamino)-6-oxohexanoic acid
CID 177277672
5-amino-2-(methylamino)pentanoic acid;hydrochloride
CID 23216389
(2S)-6-amino-2-(methylamino)-7-oxooctanoic acid
CID 87407162
6-methyl-2-(methylamino)heptanoic acid
CID 91290146
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
(2S)-6-(carbamoylamino)-2-(methylamino)hexanoic acid
CID 87065655
5-amino-2-(methylamino)hexanoic acid
CID 139342913
5-amino-5-fluoro-2-(methylamino)pentanoic acid
CID 87457639
(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid
CID 161367274
5-(aminomethylideneamino)-2-(methylamino)pentanoic acid
CID 178031591
(2S)-6-[(2-amino-4,4-dimethylpentanoyl)amino]-2-(methylamino)hexanoic acid
CID 172626078

Frequently Asked Questions

What is the IUPAC name of 5-(diaminomethylamino)-2-(methylamino)pentanoic acid?
The IUPAC name of 5-(diaminomethylamino)-2-(methylamino)pentanoic acid (CID 134576168) is 5-(diaminomethylamino)-2-(methylamino)pentanoic acid.
What is the SMILES notation for 5-(diaminomethylamino)-2-(methylamino)pentanoic acid?
The canonical SMILES for 5-(diaminomethylamino)-2-(methylamino)pentanoic acid is CNC(CCCNC(N)N)C(=O)O.
What is the InChIKey of 5-(diaminomethylamino)-2-(methylamino)pentanoic acid?
The InChIKey is JSMIHHZTQYCUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,7,10-11H,2-4,8-9H2,1H3,(H,12,13).
What are the key properties of 5-(diaminomethylamino)-2-(methylamino)pentanoic acid?
5-(diaminomethylamino)-2-(methylamino)pentanoic acid has a molecular weight of 190.25 g/mol, XLogP of -1.77, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diaminomethylamino)-2-(methylamino)pentanoic acid is sourced from PubChem (CID 134576168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).