(2S)-2-amino-5-(2-iminoethylamino)pentanoic acid

C7H15N3O2 — CID 87252221

IUPAC(2S)-2-amino-5-(2-iminoethylamino)pentanoic acid
SMILES[H]/N=C/CNCCC[C@H](N)C(=O)O
InChIInChI=1S/C7H15N3O2/c8-3-5-10-4-1-2-6(9)7(11)12/h3,6,8,10H,1-2,4-5,9H2,(H,11,12)/b8-3+/t6-/m0/s1
InChIKeyRKTIFNJDYKZQFG-IMVZXEPYSA-N
MW173.22 g/mol
LogP-0.58
Rot. Bonds7

About (2S)-2-amino-5-(2-iminoethylamino)pentanoic acid

(2S)-2-amino-5-(2-iminoethylamino)pentanoic acid (PubChem CID 87252221) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is (2S)-2-amino-5-(2-iminoethylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(2-iminoethylamino)pentanoic acid
PubChem CID87252221
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name(2S)-2-amino-5-(2-iminoethylamino)pentanoic acid
SMILES[H]/N=C/CNCCC[C@H](N)C(=O)O
InChIInChI=1S/C7H15N3O2/c8-3-5-10-4-1-2-6(9)7(11)12/h3,6,8,10H,1-2,4-5,9H2,(H,11,12)/b8-3+/t6-/m0/s1
InChIKeyRKTIFNJDYKZQFG-IMVZXEPYSA-N
XLogP-0.58
TPSA99.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-6-(2-iminoethylamino)hexanamide
CID 87946743
2-amino-5-(ethylamino)pentanoic acid
CID 4868762
(2S)-2-amino-6-[(2-iminoacetyl)amino]hexanoic acid
CID 175071330
(2R)-2-amino-4-(2-oxoethylamino)butanoic acid;(2S)-2-amino-4-(2-oxoethylamino)butanoic acid
CID 155390732
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
2-amino-6-(phosphanylamino)hexanoic acid
CID 58918471
(2S)-2-amino-5-[[amino(hydroxy)methyl]amino]pentanoic acid
CID 118054974
2-amino-4-(4-methylpentylamino)butanoic acid
CID 115241308
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
N-[(4S)-4-amino-4-carboxybutyl]carbamate
CID 153456088
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
CID 72941546

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(2-iminoethylamino)pentanoic acid?
The IUPAC name of (2S)-2-amino-5-(2-iminoethylamino)pentanoic acid (CID 87252221) is (2S)-2-amino-5-(2-iminoethylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(2-iminoethylamino)pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(2-iminoethylamino)pentanoic acid is [H]/N=C/CNCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(2-iminoethylamino)pentanoic acid?
The InChIKey is RKTIFNJDYKZQFG-IMVZXEPYSA-N. The full InChI is InChI=1S/C7H15N3O2/c8-3-5-10-4-1-2-6(9)7(11)12/h3,6,8,10H,1-2,4-5,9H2,(H,11,12)/b8-3+/t6-/m0/s1.
What are the key properties of (2S)-2-amino-5-(2-iminoethylamino)pentanoic acid?
(2S)-2-amino-5-(2-iminoethylamino)pentanoic acid has a molecular weight of 173.22 g/mol, XLogP of -0.58, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(2-iminoethylamino)pentanoic acid is sourced from PubChem (CID 87252221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).