curium;2-(heptan-4-yloxycarbonylamino)acetic acid

C10H17Cm2NO4-2 — CID 59130181

IUPACcurium;2-(heptan-4-yloxycarbonylamino)acetic acid
SMILES[CH2-]CCC(CC[CH2-])OC(=O)NCC(=O)O.[Cm].[Cm]
InChIInChI=1S/C10H17NO4.2Cm/c1-3-5-8(6-4-2)15-10(14)11-7-9(12)13;;/h8H,1-7H2,(H,11,14)(H,12,13);;/q-2;;
InChIKeyTZOLUIKRWAIMDM-UHFFFAOYSA-N
MW709.25 g/mol
LogP1.39
Rot. Bonds7

About curium;2-(heptan-4-yloxycarbonylamino)acetic acid

curium;2-(heptan-4-yloxycarbonylamino)acetic acid (PubChem CID 59130181) has the molecular formula C10H17Cm2NO4-2 and a molecular weight of 709.25 g/mol. Its IUPAC name is curium;2-(heptan-4-yloxycarbonylamino)acetic acid.

Molecular Properties

Compound Namecurium;2-(heptan-4-yloxycarbonylamino)acetic acid
PubChem CID59130181
Molecular FormulaC10H17Cm2NO4-2
Molecular Weight709.25 g/mol
Exact Mass701.24
IUPAC Namecurium;2-(heptan-4-yloxycarbonylamino)acetic acid
SMILES[CH2-]CCC(CC[CH2-])OC(=O)NCC(=O)O.[Cm].[Cm]
InChIInChI=1S/C10H17NO4.2Cm/c1-3-5-8(6-4-2)15-10(14)11-7-9(12)13;;/h8H,1-7H2,(H,11,14)(H,12,13);;/q-2;;
InChIKeyTZOLUIKRWAIMDM-UHFFFAOYSA-N
XLogP1.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500709.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-nitrophenyl)ethoxycarbonylamino]acetic acid
CID 19067471
heptan-4-yl N-(3,3-dimethyl-2-oxobutyl)carbamate
CID 59130135
2-[[(R)-fluoro(phenyl)methoxy]carbonylamino]acetic acid
CID 66789213
2-[(4-bromophenoxy)carbonylamino]acetic acid
CID 82306718
2-(ethoxycarbonylamino)acetic acid;propane
CID 145279324
2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(methoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 87757746
1-chloroethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 160654260
2-(carboxymethylamino)-2-oxoacetic acid;ethene
CID 142170274
2-[[(2S)-2-[(4-bromophenyl)carbamoyloxy]-4-methylpentanoyl]amino]acetic acid
CID 118096963
4-[[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]oxycarbonylamino]butanoic acid
CID 174259161
2-[(1,3-dihydroxy-3,7,11,15-tetramethylhexadecan-2-yl)oxycarbonylamino]acetic acid
CID 170252200
ethane-1,2-diol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 175289352

Frequently Asked Questions

What is the IUPAC name of curium;2-(heptan-4-yloxycarbonylamino)acetic acid?
The IUPAC name of curium;2-(heptan-4-yloxycarbonylamino)acetic acid (CID 59130181) is curium;2-(heptan-4-yloxycarbonylamino)acetic acid.
What is the SMILES notation for curium;2-(heptan-4-yloxycarbonylamino)acetic acid?
The canonical SMILES for curium;2-(heptan-4-yloxycarbonylamino)acetic acid is [CH2-]CCC(CC[CH2-])OC(=O)NCC(=O)O.[Cm].[Cm].
What is the InChIKey of curium;2-(heptan-4-yloxycarbonylamino)acetic acid?
The InChIKey is TZOLUIKRWAIMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4.2Cm/c1-3-5-8(6-4-2)15-10(14)11-7-9(12)13;;/h8H,1-7H2,(H,11,14)(H,12,13);;/q-2;;.
What are the key properties of curium;2-(heptan-4-yloxycarbonylamino)acetic acid?
curium;2-(heptan-4-yloxycarbonylamino)acetic acid has a molecular weight of 709.25 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for curium;2-(heptan-4-yloxycarbonylamino)acetic acid is sourced from PubChem (CID 59130181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).