2-amino-6-(phosphanylamino)hexanoic acid

C6H15N2O2P — CID 58918471

IUPAC2-amino-6-(phosphanylamino)hexanoic acid
SMILESNC(CCCCNP)C(=O)O
InChIInChI=1S/C6H15N2O2P/c7-5(6(9)10)3-1-2-4-8-11/h5,8H,1-4,7,11H2,(H,9,10)
InChIKeyYWPAOSINHHJRFA-UHFFFAOYSA-N
MW178.17 g/mol
LogP-0.05
Rot. Bonds6

About 2-amino-6-(phosphanylamino)hexanoic acid

2-amino-6-(phosphanylamino)hexanoic acid (PubChem CID 58918471) has the molecular formula C6H15N2O2P and a molecular weight of 178.17 g/mol. Its IUPAC name is 2-amino-6-(phosphanylamino)hexanoic acid.

Molecular Properties

Compound Name2-amino-6-(phosphanylamino)hexanoic acid
PubChem CID58918471
Molecular FormulaC6H15N2O2P
Molecular Weight178.17 g/mol
Exact Mass178.09
IUPAC Name2-amino-6-(phosphanylamino)hexanoic acid
SMILESNC(CCCCNP)C(=O)O
InChIInChI=1S/C6H15N2O2P/c7-5(6(9)10)3-1-2-4-8-11/h5,8H,1-4,7,11H2,(H,9,10)
InChIKeyYWPAOSINHHJRFA-UHFFFAOYSA-N
XLogP-0.05
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2S)-2-amino-6-(methylamino)hexanoic acid;ethane
CID 144761266
2,6-diaminoheptanedioic acid
CID 865
2-amino-6-(2-oxopropanoylamino)hexanoic acid
CID 59658344
(2S)-2-amino-6-(3,3-dimethylbutylamino)hexanoic acid
CID 88581012
2-amino-6-(methoxycarbonylamino)hexanoic acid
CID 10899722
4-aminobutylcarbamic acid;2,6-diaminohexanoic acid
CID 174985893
2-amino-6-(cyclopropylamino)hexanoic acid
CID 67330601
2-amino-6-(3-methylbutylamino)hexanoic acid
CID 90718970
(2R)-2-amino-6-hydroxyhexanoic acid
CID 5288041
2,10,10-triaminodecanoic acid
CID 141091504

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(phosphanylamino)hexanoic acid?
The IUPAC name of 2-amino-6-(phosphanylamino)hexanoic acid (CID 58918471) is 2-amino-6-(phosphanylamino)hexanoic acid.
What is the SMILES notation for 2-amino-6-(phosphanylamino)hexanoic acid?
The canonical SMILES for 2-amino-6-(phosphanylamino)hexanoic acid is NC(CCCCNP)C(=O)O.
What is the InChIKey of 2-amino-6-(phosphanylamino)hexanoic acid?
The InChIKey is YWPAOSINHHJRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N2O2P/c7-5(6(9)10)3-1-2-4-8-11/h5,8H,1-4,7,11H2,(H,9,10).
What are the key properties of 2-amino-6-(phosphanylamino)hexanoic acid?
2-amino-6-(phosphanylamino)hexanoic acid has a molecular weight of 178.17 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(phosphanylamino)hexanoic acid is sourced from PubChem (CID 58918471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).