2-amino-5-[3-(dimethylamino)propanoylamino]pentanoic acid

C10H21N3O3 — CID 87358436

IUPAC2-amino-5-[3-(dimethylamino)propanoylamino]pentanoic acid
SMILESCN(C)CCC(=O)NCCCC(N)C(=O)O
InChIInChI=1S/C10H21N3O3/c1-13(2)7-5-9(14)12-6-3-4-8(11)10(15)16/h8H,3-7,11H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyGZVLPOVVKVZHAN-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.75
Rot. Bonds8

About 2-amino-5-[3-(dimethylamino)propanoylamino]pentanoic acid

2-amino-5-[3-(dimethylamino)propanoylamino]pentanoic acid (PubChem CID 87358436) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-amino-5-[3-(dimethylamino)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name2-amino-5-[3-(dimethylamino)propanoylamino]pentanoic acid
PubChem CID87358436
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name2-amino-5-[3-(dimethylamino)propanoylamino]pentanoic acid
SMILESCN(C)CCC(=O)NCCCC(N)C(=O)O
InChIInChI=1S/C10H21N3O3/c1-13(2)7-5-9(14)12-6-3-4-8(11)10(15)16/h8H,3-7,11H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyGZVLPOVVKVZHAN-UHFFFAOYSA-N
XLogP-0.75
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-5-(3-aminopropanoylamino)pentanoic acid
CID 87358658
2-amino-6-(dimethylamino)hexanoic acid;ethane
CID 177245948
(2S)-2-amino-6-(tetradecanoylamino)hexanoic acid
CID 6454263
2-amino-6-[6-(hexadecanoylamino)hexanoylamino]hexanoic acid
CID 174208894
20-[[(5S)-5-amino-5-carboxypentyl]amino]-20-oxoicosanoic acid
CID 123299935
24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid
CID 102018934
(2S)-2-amino-6-(8-aminooctanoylamino)hexanoic acid
CID 89408700
(2S)-2-amino-N'-[2-(dimethylamino)ethyl]pentanediamide
CID 58987538
18-[[3-[[(5S)-5-amino-5-carboxypentyl]amino]-3-oxopropyl]-(carboxymethyl)amino]-18-oxooctadecanoic acid
CID 129288259
2-amino-5-[[3-[carboxy(methyl)amino]-3-oxopropyl]amino]-5-oxopentanoic acid
CID 173061748
(2S)-6-[[(4S)-4-acetamido-4-carboxybutanoyl]amino]-2-aminohexanoic acid
CID 167256422
bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
CID 166523784

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(dimethylamino)propanoylamino]pentanoic acid?
The IUPAC name of 2-amino-5-[3-(dimethylamino)propanoylamino]pentanoic acid (CID 87358436) is 2-amino-5-[3-(dimethylamino)propanoylamino]pentanoic acid.
What is the SMILES notation for 2-amino-5-[3-(dimethylamino)propanoylamino]pentanoic acid?
The canonical SMILES for 2-amino-5-[3-(dimethylamino)propanoylamino]pentanoic acid is CN(C)CCC(=O)NCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-[3-(dimethylamino)propanoylamino]pentanoic acid?
The InChIKey is GZVLPOVVKVZHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-13(2)7-5-9(14)12-6-3-4-8(11)10(15)16/h8H,3-7,11H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-amino-5-[3-(dimethylamino)propanoylamino]pentanoic acid?
2-amino-5-[3-(dimethylamino)propanoylamino]pentanoic acid has a molecular weight of 231.30 g/mol, XLogP of -0.75, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(dimethylamino)propanoylamino]pentanoic acid is sourced from PubChem (CID 87358436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).