2-(2-aminopropanoylamino)propanoic acid;2,6-diaminohexanoic acid

C12H26N4O5 — CID 71340750

IUPAC2-(2-aminopropanoylamino)propanoic acid;2,6-diaminohexanoic acid
SMILESCC(N)C(=O)NC(C)C(=O)O.NCCCCC(N)C(=O)O
InChIInChI=1S/C6H12N2O3.C6H14N2O2/c1-3(7)5(9)8-4(2)6(10)11;7-4-2-1-3-5(8)6(9)10/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11);5H,1-4,7-8H2,(H,9,10)
InChIKeyNNMKIPKDJJVWKP-UHFFFAOYSA-N
MW306.36 g/mol
LogP-1.55
Rot. Bonds8

About 2-(2-aminopropanoylamino)propanoic acid;2,6-diaminohexanoic acid

2-(2-aminopropanoylamino)propanoic acid;2,6-diaminohexanoic acid (PubChem CID 71340750) has the molecular formula C12H26N4O5 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(2-aminopropanoylamino)propanoic acid;2,6-diaminohexanoic acid.

Molecular Properties

Compound Name2-(2-aminopropanoylamino)propanoic acid;2,6-diaminohexanoic acid
PubChem CID71340750
Molecular FormulaC12H26N4O5
Molecular Weight306.36 g/mol
Exact Mass306.19
IUPAC Name2-(2-aminopropanoylamino)propanoic acid;2,6-diaminohexanoic acid
SMILESCC(N)C(=O)NC(C)C(=O)O.NCCCCC(N)C(=O)O
InChIInChI=1S/C6H12N2O3.C6H14N2O2/c1-3(7)5(9)8-4(2)6(10)11;7-4-2-1-3-5(8)6(9)10/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11);5H,1-4,7-8H2,(H,9,10)
InChIKeyNNMKIPKDJJVWKP-UHFFFAOYSA-N
XLogP-1.55
TPSA181.76 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.36
LogP ≤ 5-1.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[(2R)-2,6-diaminohexanoyl]amino]propanoic acid
CID 54238921
(2S)-2-(2,6-diaminohexanoylamino)propanoic acid
CID 130447045
(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
CID 101204315
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoic acid
CID 175703983
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2-aminoacetic acid;(2R)-2-(2-aminopropanoylamino)propanoic acid
CID 88604532
(2R)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]propanoic acid;(2R)-2-aminopropanoic acid
CID 20637825
6-amino-2-[[6-amino-2-[2-(2-aminopropanoylamino)propanoylamino]hexanoyl]amino]hexanoic acid
CID 18232813
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoic acid
CID 134824866
(2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid
CID 175695979
(4S)-5-[[(1R)-1-carboxyethyl]amino]-4-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoic acid
CID 10360239
(2S)-2-(decanoylamino)propanoic acid;2,6-diaminohexanoic acid
CID 87876051

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropanoylamino)propanoic acid;2,6-diaminohexanoic acid?
The IUPAC name of 2-(2-aminopropanoylamino)propanoic acid;2,6-diaminohexanoic acid (CID 71340750) is 2-(2-aminopropanoylamino)propanoic acid;2,6-diaminohexanoic acid.
What is the SMILES notation for 2-(2-aminopropanoylamino)propanoic acid;2,6-diaminohexanoic acid?
The canonical SMILES for 2-(2-aminopropanoylamino)propanoic acid;2,6-diaminohexanoic acid is CC(N)C(=O)NC(C)C(=O)O.NCCCCC(N)C(=O)O.
What is the InChIKey of 2-(2-aminopropanoylamino)propanoic acid;2,6-diaminohexanoic acid?
The InChIKey is NNMKIPKDJJVWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3.C6H14N2O2/c1-3(7)5(9)8-4(2)6(10)11;7-4-2-1-3-5(8)6(9)10/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11);5H,1-4,7-8H2,(H,9,10).
What are the key properties of 2-(2-aminopropanoylamino)propanoic acid;2,6-diaminohexanoic acid?
2-(2-aminopropanoylamino)propanoic acid;2,6-diaminohexanoic acid has a molecular weight of 306.36 g/mol, XLogP of -1.55, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropanoylamino)propanoic acid;2,6-diaminohexanoic acid is sourced from PubChem (CID 71340750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).