2-amino-5-phosphorosooxypentanoic acid;azane

C5H13N2O4P — CID 87481261

IUPAC2-amino-5-phosphorosooxypentanoic acid;azane
SMILESN.NC(CCCOP=O)C(=O)O
InChIInChI=1S/C5H10NO4P.H3N/c6-4(5(7)8)2-1-3-10-11-9;/h4H,1-3,6H2,(H,7,8);1H3
InChIKeyNSQDTXFYNOPKBR-UHFFFAOYSA-N
MW196.14 g/mol
LogP0.56
Rot. Bonds6

About 2-amino-5-phosphorosooxypentanoic acid;azane

2-amino-5-phosphorosooxypentanoic acid;azane (PubChem CID 87481261) has the molecular formula C5H13N2O4P and a molecular weight of 196.14 g/mol. Its IUPAC name is 2-amino-5-phosphorosooxypentanoic acid;azane.

Molecular Properties

Compound Name2-amino-5-phosphorosooxypentanoic acid;azane
PubChem CID87481261
Molecular FormulaC5H13N2O4P
Molecular Weight196.14 g/mol
Exact Mass196.06
IUPAC Name2-amino-5-phosphorosooxypentanoic acid;azane
SMILESN.NC(CCCOP=O)C(=O)O
InChIInChI=1S/C5H10NO4P.H3N/c6-4(5(7)8)2-1-3-10-11-9;/h4H,1-3,6H2,(H,7,8);1H3
InChIKeyNSQDTXFYNOPKBR-UHFFFAOYSA-N
XLogP0.56
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-amino-5-methoxypentanoic acid
CID 18361135
2,6-diaminoheptanedioic acid
CID 865
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2S)-2-amino-3-phosphorosooxypropanoic acid
CID 57139135
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-amino-6-chlorohexanoic acid
CID 14059993
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-5-(2-oxopropoxy)pentanoic acid
CID 88585596
(2R)-2-amino-6-hydroxyhexanoic acid
CID 5288041
butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid
CID 87187240
bis(2,5-diaminopentanoic acid);trihydrochloride
CID 175233947
zinc 2,5-diaminopentanoic acid
CID 56838280

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-phosphorosooxypentanoic acid;azane?
The IUPAC name of 2-amino-5-phosphorosooxypentanoic acid;azane (CID 87481261) is 2-amino-5-phosphorosooxypentanoic acid;azane.
What is the SMILES notation for 2-amino-5-phosphorosooxypentanoic acid;azane?
The canonical SMILES for 2-amino-5-phosphorosooxypentanoic acid;azane is N.NC(CCCOP=O)C(=O)O.
What is the InChIKey of 2-amino-5-phosphorosooxypentanoic acid;azane?
The InChIKey is NSQDTXFYNOPKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO4P.H3N/c6-4(5(7)8)2-1-3-10-11-9;/h4H,1-3,6H2,(H,7,8);1H3.
What are the key properties of 2-amino-5-phosphorosooxypentanoic acid;azane?
2-amino-5-phosphorosooxypentanoic acid;azane has a molecular weight of 196.14 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-phosphorosooxypentanoic acid;azane is sourced from PubChem (CID 87481261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).