phosphono (2S)-2-amino-5-(carbamoylamino)pentanoate

C6H14N3O6P — CID 175024515

IUPACphosphono (2S)-2-amino-5-(carbamoylamino)pentanoate
SMILESNC(=O)NCCC[C@H](N)C(=O)OP(=O)(O)O
InChIInChI=1S/C6H14N3O6P/c7-4(2-1-3-9-6(8)11)5(10)15-16(12,13)14/h4H,1-3,7H2,(H3,8,9,11)(H2,12,13,14)/t4-/m0/s1
InChIKeyRMWVJLSUBUPXPU-BYPYZUCNSA-N
MW255.17 g/mol
LogP-1.60
Rot. Bonds6

About phosphono (2S)-2-amino-5-(carbamoylamino)pentanoate

phosphono (2S)-2-amino-5-(carbamoylamino)pentanoate (PubChem CID 175024515) has the molecular formula C6H14N3O6P and a molecular weight of 255.17 g/mol. Its IUPAC name is phosphono (2S)-2-amino-5-(carbamoylamino)pentanoate.

Molecular Properties

Compound Namephosphono (2S)-2-amino-5-(carbamoylamino)pentanoate
PubChem CID175024515
Molecular FormulaC6H14N3O6P
Molecular Weight255.17 g/mol
Exact Mass255.06
IUPAC Namephosphono (2S)-2-amino-5-(carbamoylamino)pentanoate
SMILESNC(=O)NCCC[C@H](N)C(=O)OP(=O)(O)O
InChIInChI=1S/C6H14N3O6P/c7-4(2-1-3-9-6(8)11)5(10)15-16(12,13)14/h4H,1-3,7H2,(H3,8,9,11)(H2,12,13,14)/t4-/m0/s1
InChIKeyRMWVJLSUBUPXPU-BYPYZUCNSA-N
XLogP-1.60
TPSA164.97 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.17
LogP ≤ 5-1.60
H-Bond Donors ≤ 55
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

potassium;[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S)-2-amino-5-(carbamoylamino)pentanoate;hydride
CID 174823940
(2R)-2-amino-5-(carbamoylamino)pentanamide
CID 129140717
phosphono (2R)-2,5-diaminopentanoate;hydrofluoride
CID 88815314
phosphono (2S)-2,6-diaminohexanoate
CID 57260798
ethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride
CID 74933713
bis[(2R)-2-amino-5-(carbamoylamino)pentanoyl] butanedioate
CID 174847898
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
CID 72941546
bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
CID 166523784
(4-amino-5-oxohexyl)urea;ethane
CID 145237808
(2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(carbamoylamino)pentanamide
CID 18609889
(2S)-3-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]oxy-2-(methylamino)propanoic acid
CID 90823194
bis[(2S)-2-amino-5-(carbamoylamino)pentanoyl] 2-oxopentanedioate
CID 174597733

Frequently Asked Questions

What is the IUPAC name of phosphono (2S)-2-amino-5-(carbamoylamino)pentanoate?
The IUPAC name of phosphono (2S)-2-amino-5-(carbamoylamino)pentanoate (CID 175024515) is phosphono (2S)-2-amino-5-(carbamoylamino)pentanoate.
What is the SMILES notation for phosphono (2S)-2-amino-5-(carbamoylamino)pentanoate?
The canonical SMILES for phosphono (2S)-2-amino-5-(carbamoylamino)pentanoate is NC(=O)NCCC[C@H](N)C(=O)OP(=O)(O)O.
What is the InChIKey of phosphono (2S)-2-amino-5-(carbamoylamino)pentanoate?
The InChIKey is RMWVJLSUBUPXPU-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H14N3O6P/c7-4(2-1-3-9-6(8)11)5(10)15-16(12,13)14/h4H,1-3,7H2,(H3,8,9,11)(H2,12,13,14)/t4-/m0/s1.
What are the key properties of phosphono (2S)-2-amino-5-(carbamoylamino)pentanoate?
phosphono (2S)-2-amino-5-(carbamoylamino)pentanoate has a molecular weight of 255.17 g/mol, XLogP of -1.60, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono (2S)-2-amino-5-(carbamoylamino)pentanoate is sourced from PubChem (CID 175024515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).