methyl 5-amino-2-[[4-(1-nitrosoethyl)phenyl]carbamoylamino]-5-oxopentanoate

C15H20N4O5 — CID 54156226

IUPACmethyl 5-amino-2-[[4-(1-nitrosoethyl)phenyl]carbamoylamino]-5-oxopentanoate
SMILESCOC(=O)C(CCC(N)=O)NC(=O)Nc1ccc(C(C)N=O)cc1
InChIInChI=1S/C15H20N4O5/c1-9(19-23)10-3-5-11(6-4-10)17-15(22)18-12(14(21)24-2)7-8-13(16)20/h3-6,9,12H,7-8H2,1-2H3,(H2,16,20)(H2,17,18,22)
InChIKeyOLFTXUGCRXSBBF-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.44
Rot. Bonds8

About methyl 5-amino-2-[[4-(1-nitrosoethyl)phenyl]carbamoylamino]-5-oxopentanoate

methyl 5-amino-2-[[4-(1-nitrosoethyl)phenyl]carbamoylamino]-5-oxopentanoate (PubChem CID 54156226) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is methyl 5-amino-2-[[4-(1-nitrosoethyl)phenyl]carbamoylamino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-amino-2-[[4-(1-nitrosoethyl)phenyl]carbamoylamino]-5-oxopentanoate
PubChem CID54156226
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Namemethyl 5-amino-2-[[4-(1-nitrosoethyl)phenyl]carbamoylamino]-5-oxopentanoate
SMILESCOC(=O)C(CCC(N)=O)NC(=O)Nc1ccc(C(C)N=O)cc1
InChIInChI=1S/C15H20N4O5/c1-9(19-23)10-3-5-11(6-4-10)17-15(22)18-12(14(21)24-2)7-8-13(16)20/h3-6,9,12H,7-8H2,1-2H3,(H2,16,20)(H2,17,18,22)
InChIKeyOLFTXUGCRXSBBF-UHFFFAOYSA-N
XLogP1.44
TPSA139.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-5-amino-2-[(3,4-dimethylphenyl)carbamoylamino]-5-oxopentanoic acid
CID 61191311
(2S)-5-amino-2-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
CID 61200031
methyl 4-amino-2-[[4-(hydroxyiminomethyl)phenyl]carbamoylamino]-4-oxobutanoate
CID 88642235
methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate
CID 721455
methyl 3-acetyloxy-2-[(4-carbamoylphenyl)carbamoylamino]propanoate
CID 70431627
methyl (2S)-2-[(4-acetylphenyl)carbamoylamino]-4-methylsulfanylbutanoate
CID 663754
methyl 2-[(3,4-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 3570816
1-[4-(1-aminoethyl)phenyl]-3-(4-methoxybutan-2-yl)urea
CID 64606150
methyl (2S,3R)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanoate
CID 945899
methyl (2R,3S)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanoate
CID 7678082
methyl (2S)-2-[(3,4-dimethoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoate
CID 2016178
methyl 2-[(4-carbamoylphenyl)carbamoylamino]propanoate
CID 70407448

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[[4-(1-nitrosoethyl)phenyl]carbamoylamino]-5-oxopentanoate?
The IUPAC name of methyl 5-amino-2-[[4-(1-nitrosoethyl)phenyl]carbamoylamino]-5-oxopentanoate (CID 54156226) is methyl 5-amino-2-[[4-(1-nitrosoethyl)phenyl]carbamoylamino]-5-oxopentanoate.
What is the SMILES notation for methyl 5-amino-2-[[4-(1-nitrosoethyl)phenyl]carbamoylamino]-5-oxopentanoate?
The canonical SMILES for methyl 5-amino-2-[[4-(1-nitrosoethyl)phenyl]carbamoylamino]-5-oxopentanoate is COC(=O)C(CCC(N)=O)NC(=O)Nc1ccc(C(C)N=O)cc1.
What is the InChIKey of methyl 5-amino-2-[[4-(1-nitrosoethyl)phenyl]carbamoylamino]-5-oxopentanoate?
The InChIKey is OLFTXUGCRXSBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5/c1-9(19-23)10-3-5-11(6-4-10)17-15(22)18-12(14(21)24-2)7-8-13(16)20/h3-6,9,12H,7-8H2,1-2H3,(H2,16,20)(H2,17,18,22).
What are the key properties of methyl 5-amino-2-[[4-(1-nitrosoethyl)phenyl]carbamoylamino]-5-oxopentanoate?
methyl 5-amino-2-[[4-(1-nitrosoethyl)phenyl]carbamoylamino]-5-oxopentanoate has a molecular weight of 336.35 g/mol, XLogP of 1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-[[4-(1-nitrosoethyl)phenyl]carbamoylamino]-5-oxopentanoate is sourced from PubChem (CID 54156226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).