(2R)-2-[[(2R)-2-(8-aminooctanoylamino)propanoyl]amino]propanoic acid

C14H27N3O4 — CID 101100546

IUPAC(2R)-2-[[(2R)-2-(8-aminooctanoylamino)propanoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)[C@@H](C)NC(=O)CCCCCCCN)C(=O)O
InChIInChI=1S/C14H27N3O4/c1-10(13(19)17-11(2)14(20)21)16-12(18)8-6-4-3-5-7-9-15/h10-11H,3-9,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/t10-,11-/m1/s1
InChIKeyGOSHBKADXMXQFD-GHMZBOCLSA-N
MW301.39 g/mol
LogP0.38
Rot. Bonds11

About (2R)-2-[[(2R)-2-(8-aminooctanoylamino)propanoyl]amino]propanoic acid

(2R)-2-[[(2R)-2-(8-aminooctanoylamino)propanoyl]amino]propanoic acid (PubChem CID 101100546) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-(8-aminooctanoylamino)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-(8-aminooctanoylamino)propanoyl]amino]propanoic acid
PubChem CID101100546
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name(2R)-2-[[(2R)-2-(8-aminooctanoylamino)propanoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)[C@@H](C)NC(=O)CCCCCCCN)C(=O)O
InChIInChI=1S/C14H27N3O4/c1-10(13(19)17-11(2)14(20)21)16-12(18)8-6-4-3-5-7-9-15/h10-11H,3-9,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/t10-,11-/m1/s1
InChIKeyGOSHBKADXMXQFD-GHMZBOCLSA-N
XLogP0.38
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-[[(2R)-2-(8-aminooctanoylamino)propanoyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)propanoyl]amino]propanoyl]amino]acetic acid
CID 71424310
(2R)-2-[[22-[[(1R)-1-carboxyethyl]amino]-22-oxodocosanoyl]amino]propanoic acid
CID 100962390
(2R)-2-[[14-[[(1R)-1-carboxyethyl]amino]-14-oxotetradecanoyl]amino]propanoic acid
CID 100962387
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-(octadecanoylamino)hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoic acid
CID 44612560
7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide
CID 43579253
2-[(2-aminoacetyl)amino]-7-[[1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-7-oxoheptanoic acid
CID 23644490
(2R)-2-[[(2R)-2-[(2-aminoacetyl)amino]propanoyl]amino]propanoic acid
CID 44968172
(2S)-2-(decanoylamino)propanoic acid;2,6-diaminohexanoic acid
CID 87876051
2-[[(2S)-2-[[(2S)-2-(4-aminobutanoylamino)propanoyl]amino]propanoyl]amino]acetic acid
CID 71424311
2-(6-aminohexanoylamino)-3-methylbutanoic acid
CID 61157155
(2S)-2-(heptanoylamino)propanoic acid
CID 59127847
7-amino-N-(1-anilino-1-oxopropan-2-yl)heptanamide
CID 119785013

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-(8-aminooctanoylamino)propanoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[(2R)-2-(8-aminooctanoylamino)propanoyl]amino]propanoic acid (CID 101100546) is (2R)-2-[[(2R)-2-(8-aminooctanoylamino)propanoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2-(8-aminooctanoylamino)propanoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[(2R)-2-(8-aminooctanoylamino)propanoyl]amino]propanoic acid is C[C@@H](NC(=O)[C@@H](C)NC(=O)CCCCCCCN)C(=O)O.
What is the InChIKey of (2R)-2-[[(2R)-2-(8-aminooctanoylamino)propanoyl]amino]propanoic acid?
The InChIKey is GOSHBKADXMXQFD-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-10(13(19)17-11(2)14(20)21)16-12(18)8-6-4-3-5-7-9-15/h10-11H,3-9,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/t10-,11-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-(8-aminooctanoylamino)propanoyl]amino]propanoic acid?
(2R)-2-[[(2R)-2-(8-aminooctanoylamino)propanoyl]amino]propanoic acid has a molecular weight of 301.39 g/mol, XLogP of 0.38, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-(8-aminooctanoylamino)propanoyl]amino]propanoic acid is sourced from PubChem (CID 101100546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).