(2R)-5-amino-2-(1-aminoethylideneamino)pentanoic acid

C7H15N3O2 — CID 87169114

IUPAC(2R)-5-amino-2-(1-aminoethylideneamino)pentanoic acid
SMILESC/C(N)=N\[C@H](CCCN)C(=O)O
InChIInChI=1S/C7H15N3O2/c1-5(9)10-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H2,9,10)(H,11,12)/t6-/m1/s1
InChIKeyVYLYFZJSSQSYCR-ZCFIWIBFSA-N
MW173.22 g/mol
LogP-0.44
Rot. Bonds5

About (2R)-5-amino-2-(1-aminoethylideneamino)pentanoic acid

(2R)-5-amino-2-(1-aminoethylideneamino)pentanoic acid (PubChem CID 87169114) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is (2R)-5-amino-2-(1-aminoethylideneamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-(1-aminoethylideneamino)pentanoic acid
PubChem CID87169114
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name(2R)-5-amino-2-(1-aminoethylideneamino)pentanoic acid
SMILESC/C(N)=N\[C@H](CCCN)C(=O)O
InChIInChI=1S/C7H15N3O2/c1-5(9)10-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H2,9,10)(H,11,12)/t6-/m1/s1
InChIKeyVYLYFZJSSQSYCR-ZCFIWIBFSA-N
XLogP-0.44
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
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

6-amino-2-(1-aminoethylideneamino)hexanoic acid
CID 18322413
sodium N-[(1R)-5-amino-1-carboxypentyl]prop-2-enimidate
CID 101069143
5-amino-2-[(2,2-dimethylhydrazinyl)methylideneamino]pentanoic acid
CID 89420379
(3S)-6-amino-3-(methylamino)hexan-2-one
CID 59098893
(2S)-2,5-diaminopentanoic acid;methanol
CID 87528483
carbamic acid;2,5-diaminopentanoic acid
CID 22153959
5-amino-2-(methylamino)pentanoic acid;hydrochloride
CID 23216389
2-[[amino(dimethylamino)methylidene]amino]heptadecanoic acid
CID 87851656
acetic acid;propane-1,3-diamine
CID 158444659
5-amino-2-propan-2-ylpentanoic acid
CID 104681083
zinc 2,5-diaminopentanoic acid
CID 56838280
bis(2,5-diaminopentanoic acid);trihydrochloride
CID 175233947

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-(1-aminoethylideneamino)pentanoic acid?
The IUPAC name of (2R)-5-amino-2-(1-aminoethylideneamino)pentanoic acid (CID 87169114) is (2R)-5-amino-2-(1-aminoethylideneamino)pentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-(1-aminoethylideneamino)pentanoic acid?
The canonical SMILES for (2R)-5-amino-2-(1-aminoethylideneamino)pentanoic acid is C/C(N)=N\[C@H](CCCN)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-(1-aminoethylideneamino)pentanoic acid?
The InChIKey is VYLYFZJSSQSYCR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-5(9)10-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H2,9,10)(H,11,12)/t6-/m1/s1.
What are the key properties of (2R)-5-amino-2-(1-aminoethylideneamino)pentanoic acid?
(2R)-5-amino-2-(1-aminoethylideneamino)pentanoic acid has a molecular weight of 173.22 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-(1-aminoethylideneamino)pentanoic acid is sourced from PubChem (CID 87169114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).