[(4S)-4-amino-1-[[(2S)-2-aminopropanoyl]amino]-3-oxoheptyl]phosphonic acid

C10H22N3O5P — CID 151888138

IUPAC[(4S)-4-amino-1-[[(2S)-2-aminopropanoyl]amino]-3-oxoheptyl]phosphonic acid
SMILESCCC[C@H](N)C(=O)CC(NC(=O)[C@H](C)N)P(=O)(O)O
InChIInChI=1S/C10H22N3O5P/c1-3-4-7(12)8(14)5-9(19(16,17)18)13-10(15)6(2)11/h6-7,9H,3-5,11-12H2,1-2H3,(H,13,15)(H2,16,17,18)/t6-,7-,9?/m0/s1
InChIKeySQDSDZVYQRWWCT-ASLNEKEESA-N
MW295.28 g/mol
LogP-0.96
Rot. Bonds8

About [(4S)-4-amino-1-[[(2S)-2-aminopropanoyl]amino]-3-oxoheptyl]phosphonic acid

[(4S)-4-amino-1-[[(2S)-2-aminopropanoyl]amino]-3-oxoheptyl]phosphonic acid (PubChem CID 151888138) has the molecular formula C10H22N3O5P and a molecular weight of 295.28 g/mol. Its IUPAC name is [(4S)-4-amino-1-[[(2S)-2-aminopropanoyl]amino]-3-oxoheptyl]phosphonic acid.

Molecular Properties

Compound Name[(4S)-4-amino-1-[[(2S)-2-aminopropanoyl]amino]-3-oxoheptyl]phosphonic acid
PubChem CID151888138
Molecular FormulaC10H22N3O5P
Molecular Weight295.28 g/mol
Exact Mass295.13
IUPAC Name[(4S)-4-amino-1-[[(2S)-2-aminopropanoyl]amino]-3-oxoheptyl]phosphonic acid
SMILESCCC[C@H](N)C(=O)CC(NC(=O)[C@H](C)N)P(=O)(O)O
InChIInChI=1S/C10H22N3O5P/c1-3-4-7(12)8(14)5-9(19(16,17)18)13-10(15)6(2)11/h6-7,9H,3-5,11-12H2,1-2H3,(H,13,15)(H2,16,17,18)/t6-,7-,9?/m0/s1
InChIKeySQDSDZVYQRWWCT-ASLNEKEESA-N
XLogP-0.96
TPSA155.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 5-0.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2S)-2-aminopentanoyl]amino]-3-[1-[[(2S)-2-aminopropanoyl]amino]ethyl-hydroxyphosphoryl]propanoic acid
CID 54114597
1-[[(2R)-2-aminopropanoyl]amino]propylphosphonic acid
CID 11820419
6-amino-3-methylnonan-5-one
CID 116554552
1-[[(2S)-2-aminopropanoyl]amino]ethylphosphonic acid
CID 12757031
[1-(2-aminopropanoylamino)-2,2,2-trifluoroethyl]phosphonic acid
CID 85321325
[(1R)-1-[[(2S)-2-aminopropanoyl]amino]-1-deuterioethyl]phosphonic acid
CID 131888538
2-amino-N-propylpentanamide
CID 43649977
[(1R)-1-[[(2R,5R)-5-amino-6-chloro-2-(chloromethyl)-4-oxohexanoyl]amino]ethyl]phosphonic acid
CID 158241330
(2R)-2-amino-N-heptan-2-ylpropanamide
CID 78972371
2-amino-N-(3-methylbutan-2-yl)pentanamide
CID 43650228
(2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride
CID 119342416
4-aminoheptan-3-one;ethane
CID 143359235

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-amino-1-[[(2S)-2-aminopropanoyl]amino]-3-oxoheptyl]phosphonic acid?
The IUPAC name of [(4S)-4-amino-1-[[(2S)-2-aminopropanoyl]amino]-3-oxoheptyl]phosphonic acid (CID 151888138) is [(4S)-4-amino-1-[[(2S)-2-aminopropanoyl]amino]-3-oxoheptyl]phosphonic acid.
What is the SMILES notation for [(4S)-4-amino-1-[[(2S)-2-aminopropanoyl]amino]-3-oxoheptyl]phosphonic acid?
The canonical SMILES for [(4S)-4-amino-1-[[(2S)-2-aminopropanoyl]amino]-3-oxoheptyl]phosphonic acid is CCC[C@H](N)C(=O)CC(NC(=O)[C@H](C)N)P(=O)(O)O.
What is the InChIKey of [(4S)-4-amino-1-[[(2S)-2-aminopropanoyl]amino]-3-oxoheptyl]phosphonic acid?
The InChIKey is SQDSDZVYQRWWCT-ASLNEKEESA-N. The full InChI is InChI=1S/C10H22N3O5P/c1-3-4-7(12)8(14)5-9(19(16,17)18)13-10(15)6(2)11/h6-7,9H,3-5,11-12H2,1-2H3,(H,13,15)(H2,16,17,18)/t6-,7-,9?/m0/s1.
What are the key properties of [(4S)-4-amino-1-[[(2S)-2-aminopropanoyl]amino]-3-oxoheptyl]phosphonic acid?
[(4S)-4-amino-1-[[(2S)-2-aminopropanoyl]amino]-3-oxoheptyl]phosphonic acid has a molecular weight of 295.28 g/mol, XLogP of -0.96, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-amino-1-[[(2S)-2-aminopropanoyl]amino]-3-oxoheptyl]phosphonic acid is sourced from PubChem (CID 151888138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).