2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid

C11H25N3O4 — CID 121439677

IUPAC2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid
SMILESCCCC(N)C(=O)O.NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O2.C5H11NO2/c7-4-2-1-3-5(8)6(9)10;1-2-3-4(6)5(7)8/h5H,1-4,7-8H2,(H,9,10);4H,2-3,6H2,1H3,(H,7,8)/t5-;/m0./s1
InChIKeyAECZFTIEOQWGEB-JEDNCBNOSA-N
MW263.34 g/mol
LogP-0.27
Rot. Bonds8

About 2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid

2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid (PubChem CID 121439677) has the molecular formula C11H25N3O4 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid.

Molecular Properties

Compound Name2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid
PubChem CID121439677
Molecular FormulaC11H25N3O4
Molecular Weight263.34 g/mol
Exact Mass263.18
IUPAC Name2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid
SMILESCCCC(N)C(=O)O.NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O2.C5H11NO2/c7-4-2-1-3-5(8)6(9)10;1-2-3-4(6)5(7)8/h5H,1-4,7-8H2,(H,9,10);4H,2-3,6H2,1H3,(H,7,8)/t5-;/m0./s1
InChIKeyAECZFTIEOQWGEB-JEDNCBNOSA-N
XLogP-0.27
TPSA152.66 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-aminohexanoic acid;2,6-diaminohexanoic acid
CID 22006143
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,13-diaminotridecanoic acid
CID 141414897
2,6-diaminohexanoic acid;titanium
CID 174642581
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
CID 158432126
CID 158432126
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
sodium 2,6-diaminohexanoic acid
CID 18320454
(2S)-2,6-bis(15N)(azanyl)hexanoic acid;dihydrochloride
CID 163409206
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180

Frequently Asked Questions

What is the IUPAC name of 2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid?
The IUPAC name of 2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid (CID 121439677) is 2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid.
What is the SMILES notation for 2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid?
The canonical SMILES for 2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid is CCCC(N)C(=O)O.NCCCC[C@H](N)C(=O)O.
What is the InChIKey of 2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid?
The InChIKey is AECZFTIEOQWGEB-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H14N2O2.C5H11NO2/c7-4-2-1-3-5(8)6(9)10;1-2-3-4(6)5(7)8/h5H,1-4,7-8H2,(H,9,10);4H,2-3,6H2,1H3,(H,7,8)/t5-;/m0./s1.
What are the key properties of 2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid?
2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid has a molecular weight of 263.34 g/mol, XLogP of -0.27, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid is sourced from PubChem (CID 121439677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).