(2S)-2-amino-5-(3-aminopropanoylamino)pentanoic acid

C8H17N3O3 — CID 87358658

IUPAC(2S)-2-amino-5-(3-aminopropanoylamino)pentanoic acid
SMILESNCCC(=O)NCCC[C@H](N)C(=O)O
InChIInChI=1S/C8H17N3O3/c9-4-3-7(12)11-5-1-2-6(10)8(13)14/h6H,1-5,9-10H2,(H,11,12)(H,13,14)/t6-/m0/s1
InChIKeyYLWYFPNEWBLOJI-LURJTMIESA-N
MW203.24 g/mol
LogP-1.36
Rot. Bonds7

About (2S)-2-amino-5-(3-aminopropanoylamino)pentanoic acid

(2S)-2-amino-5-(3-aminopropanoylamino)pentanoic acid (PubChem CID 87358658) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2S)-2-amino-5-(3-aminopropanoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(3-aminopropanoylamino)pentanoic acid
PubChem CID87358658
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name(2S)-2-amino-5-(3-aminopropanoylamino)pentanoic acid
SMILESNCCC(=O)NCCC[C@H](N)C(=O)O
InChIInChI=1S/C8H17N3O3/c9-4-3-7(12)11-5-1-2-6(10)8(13)14/h6H,1-5,9-10H2,(H,11,12)(H,13,14)/t6-/m0/s1
InChIKeyYLWYFPNEWBLOJI-LURJTMIESA-N
XLogP-1.36
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
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-6-(8-aminooctanoylamino)hexanoic acid
CID 89408700
2-amino-5-[3-(dimethylamino)propanoylamino]pentanoic acid
CID 87358436
(2S)-2-amino-5-[3-(4-aminobutylamino)propylamino]-5-oxopentanoic acid
CID 54491991
24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid
CID 102018934
20-[[(5S)-5-amino-5-carboxypentyl]amino]-20-oxoicosanoic acid
CID 123299935
2-amino-6-[6-(hexadecanoylamino)hexanoylamino]hexanoic acid
CID 174208894
(2S)-2-amino-6-(tetradecanoylamino)hexanoic acid
CID 6454263
N-[(4S)-4-amino-4-carboxybutyl]carbamate
CID 153456088
bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
CID 166523784
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
CID 72941546
4-aminobutylcarbamic acid;2,6-diaminohexanoic acid
CID 174985893
2-amino-5-[[8-[(8-amino-8-oxooctyl)amino]-8-oxooctyl]amino]-5-oxopentanoic acid;sulfane
CID 158644391

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(3-aminopropanoylamino)pentanoic acid?
The IUPAC name of (2S)-2-amino-5-(3-aminopropanoylamino)pentanoic acid (CID 87358658) is (2S)-2-amino-5-(3-aminopropanoylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(3-aminopropanoylamino)pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(3-aminopropanoylamino)pentanoic acid is NCCC(=O)NCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(3-aminopropanoylamino)pentanoic acid?
The InChIKey is YLWYFPNEWBLOJI-LURJTMIESA-N. The full InChI is InChI=1S/C8H17N3O3/c9-4-3-7(12)11-5-1-2-6(10)8(13)14/h6H,1-5,9-10H2,(H,11,12)(H,13,14)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-5-(3-aminopropanoylamino)pentanoic acid?
(2S)-2-amino-5-(3-aminopropanoylamino)pentanoic acid has a molecular weight of 203.24 g/mol, XLogP of -1.36, 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-(3-aminopropanoylamino)pentanoic acid is sourced from PubChem (CID 87358658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).