[3-carboxy-3-(methoxycarbonylamino)propyl]-formyl-oxophosphanium

C7H11NO6P+ — CID 123606336

IUPAC[3-carboxy-3-(methoxycarbonylamino)propyl]-formyl-oxophosphanium
SMILESCOC(=O)NC(CC[P+](=O)C=O)C(=O)O
InChIInChI=1S/C7H10NO6P/c1-14-7(12)8-5(6(10)11)2-3-15(13)4-9/h4-5H,2-3H2,1H3,(H-,8,10,11,12)/p+1
InChIKeyBHPZKLXRHZPSCT-UHFFFAOYSA-O
MW236.14 g/mol
LogP0.20
Rot. Bonds6

About [3-carboxy-3-(methoxycarbonylamino)propyl]-formyl-oxophosphanium

[3-carboxy-3-(methoxycarbonylamino)propyl]-formyl-oxophosphanium (PubChem CID 123606336) has the molecular formula C7H11NO6P+ and a molecular weight of 236.14 g/mol. Its IUPAC name is [3-carboxy-3-(methoxycarbonylamino)propyl]-formyl-oxophosphanium.

Molecular Properties

Compound Name[3-carboxy-3-(methoxycarbonylamino)propyl]-formyl-oxophosphanium
PubChem CID123606336
Molecular FormulaC7H11NO6P+
Molecular Weight236.14 g/mol
Exact Mass236.03
IUPAC Name[3-carboxy-3-(methoxycarbonylamino)propyl]-formyl-oxophosphanium
SMILESCOC(=O)NC(CC[P+](=O)C=O)C(=O)O
InChIInChI=1S/C7H10NO6P/c1-14-7(12)8-5(6(10)11)2-3-15(13)4-9/h4-5H,2-3H2,1H3,(H-,8,10,11,12)/p+1
InChIKeyBHPZKLXRHZPSCT-UHFFFAOYSA-O
XLogP0.20
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-cyano-2-(methoxycarbonylamino)butanoic acid
CID 59610342
(2S)-2-(methoxycarbonylamino)pentanedioic acid;(2S)-2-(methylcarbamoylamino)pentanedioic acid
CID 161104290
(2S)-5-(ethoxycarbonylamino)-2-(methoxycarbonylamino)pentanoic acid
CID 54140960
(E,2S)-2-(methoxycarbonylamino)-7-oxo-7-pyrrolidin-1-ylhept-5-enoic acid
CID 146363659
(3-acetamido-3-carboxypropyl)-(hydroxymethyl)-oxophosphanium
CID 71340326
(2S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 13066457
2-[[2-(methoxycarbonylamino)-3-sulfanylpropanoyl]amino]acetic acid
CID 144508939
(2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 10728329
methyl N-(6-fluoro-2-oxohexan-3-yl)carbamate
CID 118376940
5-(2-methoxyethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 103409961
(Z,2S)-6-(ethylideneamino)-2-(methoxycarbonylamino)-4-methylidenehex-5-enoic acid
CID 90261722
methyl N-[1,3-bis(methylamino)-1-oxopropan-2-yl]carbamate
CID 59975039

Frequently Asked Questions

What is the IUPAC name of [3-carboxy-3-(methoxycarbonylamino)propyl]-formyl-oxophosphanium?
The IUPAC name of [3-carboxy-3-(methoxycarbonylamino)propyl]-formyl-oxophosphanium (CID 123606336) is [3-carboxy-3-(methoxycarbonylamino)propyl]-formyl-oxophosphanium.
What is the SMILES notation for [3-carboxy-3-(methoxycarbonylamino)propyl]-formyl-oxophosphanium?
The canonical SMILES for [3-carboxy-3-(methoxycarbonylamino)propyl]-formyl-oxophosphanium is COC(=O)NC(CC[P+](=O)C=O)C(=O)O.
What is the InChIKey of [3-carboxy-3-(methoxycarbonylamino)propyl]-formyl-oxophosphanium?
The InChIKey is BHPZKLXRHZPSCT-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10NO6P/c1-14-7(12)8-5(6(10)11)2-3-15(13)4-9/h4-5H,2-3H2,1H3,(H-,8,10,11,12)/p+1.
What are the key properties of [3-carboxy-3-(methoxycarbonylamino)propyl]-formyl-oxophosphanium?
[3-carboxy-3-(methoxycarbonylamino)propyl]-formyl-oxophosphanium has a molecular weight of 236.14 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-carboxy-3-(methoxycarbonylamino)propyl]-formyl-oxophosphanium is sourced from PubChem (CID 123606336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).