[(1S)-1-[[(6S)-6-[(2-aminoacetyl)amino]-6-carboxyhexanoyl]amino]ethyl]-oxido-oxophosphanium

C11H20N3O6P — CID 6914366

IUPAC[(1S)-1-[[(6S)-6-[(2-aminoacetyl)amino]-6-carboxyhexanoyl]amino]ethyl]-oxido-oxophosphanium
SMILESC[C@@H](NC(=O)CCCC[C@H](NC(=O)CN)C(=O)O)[P+](=O)[O-]
InChIInChI=1S/C11H20N3O6P/c1-7(21(19)20)13-9(15)5-3-2-4-8(11(17)18)14-10(16)6-12/h7-8H,2-6,12H2,1H3,(H,13,15)(H,14,16)(H,17,18)/t7-,8-/m0/s1
InChIKeyYFLAHXPQGVRVPV-YUMQZZPRSA-N
MW321.27 g/mol
LogP-1.36
Rot. Bonds10

About [(1S)-1-[[(6S)-6-[(2-aminoacetyl)amino]-6-carboxyhexanoyl]amino]ethyl]-oxido-oxophosphanium

[(1S)-1-[[(6S)-6-[(2-aminoacetyl)amino]-6-carboxyhexanoyl]amino]ethyl]-oxido-oxophosphanium (PubChem CID 6914366) has the molecular formula C11H20N3O6P and a molecular weight of 321.27 g/mol. Its IUPAC name is [(1S)-1-[[(6S)-6-[(2-aminoacetyl)amino]-6-carboxyhexanoyl]amino]ethyl]-oxido-oxophosphanium.

Molecular Properties

Compound Name[(1S)-1-[[(6S)-6-[(2-aminoacetyl)amino]-6-carboxyhexanoyl]amino]ethyl]-oxido-oxophosphanium
PubChem CID6914366
Molecular FormulaC11H20N3O6P
Molecular Weight321.27 g/mol
Exact Mass321.11
IUPAC Name[(1S)-1-[[(6S)-6-[(2-aminoacetyl)amino]-6-carboxyhexanoyl]amino]ethyl]-oxido-oxophosphanium
SMILESC[C@@H](NC(=O)CCCC[C@H](NC(=O)CN)C(=O)O)[P+](=O)[O-]
InChIInChI=1S/C11H20N3O6P/c1-7(21(19)20)13-9(15)5-3-2-4-8(11(17)18)14-10(16)6-12/h7-8H,2-6,12H2,1H3,(H,13,15)(H,14,16)(H,17,18)/t7-,8-/m0/s1
InChIKeyYFLAHXPQGVRVPV-YUMQZZPRSA-N
XLogP-1.36
TPSA161.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(1S)-1-[[(6S)-6-[(2-aminoacetyl)amino]-6-carboxyhexanoyl]amino]ethyl]-oxido-oxophosphanium with MolForge

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Related Compounds

2-[(2-aminoacetyl)amino]-7-[[1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-7-oxoheptanoic acid
CID 23644490
(2S)-6-amino-2-(8-aminooctanoylamino)hexanoic acid
CID 118249963
6-amino-2-(6-aminohexanoylamino)hexanoic acid
CID 19028400
(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid
CID 3080576
(2S)-6-amino-2-(heptadecanoylamino)hexanoic acid
CID 171116907
6-amino-2-(nonanoylamino)hexanoic acid
CID 22722100
18-[[(1S)-5-amino-1-carboxypentyl]amino]-18-oxooctadecanoic acid
CID 177296826
6-amino-2-(octanoylamino)hexanoic acid;sulfane
CID 174384017
(2S)-5-amino-2-(decanoylamino)pentanoic acid
CID 54420497
2-(7-methyloctanoylamino)hexanoic acid
CID 118160586
2-(7-aminoheptanoylamino)hexanoic acid
CID 61161785
(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[[(6S)-6-[(2-aminoacetyl)amino]-6-carboxyhexanoyl]amino]ethyl]-oxido-oxophosphanium?
The IUPAC name of [(1S)-1-[[(6S)-6-[(2-aminoacetyl)amino]-6-carboxyhexanoyl]amino]ethyl]-oxido-oxophosphanium (CID 6914366) is [(1S)-1-[[(6S)-6-[(2-aminoacetyl)amino]-6-carboxyhexanoyl]amino]ethyl]-oxido-oxophosphanium.
What is the SMILES notation for [(1S)-1-[[(6S)-6-[(2-aminoacetyl)amino]-6-carboxyhexanoyl]amino]ethyl]-oxido-oxophosphanium?
The canonical SMILES for [(1S)-1-[[(6S)-6-[(2-aminoacetyl)amino]-6-carboxyhexanoyl]amino]ethyl]-oxido-oxophosphanium is C[C@@H](NC(=O)CCCC[C@H](NC(=O)CN)C(=O)O)[P+](=O)[O-].
What is the InChIKey of [(1S)-1-[[(6S)-6-[(2-aminoacetyl)amino]-6-carboxyhexanoyl]amino]ethyl]-oxido-oxophosphanium?
The InChIKey is YFLAHXPQGVRVPV-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H20N3O6P/c1-7(21(19)20)13-9(15)5-3-2-4-8(11(17)18)14-10(16)6-12/h7-8H,2-6,12H2,1H3,(H,13,15)(H,14,16)(H,17,18)/t7-,8-/m0/s1.
What are the key properties of [(1S)-1-[[(6S)-6-[(2-aminoacetyl)amino]-6-carboxyhexanoyl]amino]ethyl]-oxido-oxophosphanium?
[(1S)-1-[[(6S)-6-[(2-aminoacetyl)amino]-6-carboxyhexanoyl]amino]ethyl]-oxido-oxophosphanium has a molecular weight of 321.27 g/mol, XLogP of -1.36, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[[(6S)-6-[(2-aminoacetyl)amino]-6-carboxyhexanoyl]amino]ethyl]-oxido-oxophosphanium is sourced from PubChem (CID 6914366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).