3-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-2-hydroxypropanoic acid

C10H17N3O5 — CID 113481426

IUPAC3-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-2-hydroxypropanoic acid
SMILESO=C(NCCNC(=O)C1CC1)NCC(O)C(=O)O
InChIInChI=1S/C10H17N3O5/c14-7(9(16)17)5-13-10(18)12-4-3-11-8(15)6-1-2-6/h6-7,14H,1-5H2,(H,11,15)(H,16,17)(H2,12,13,18)
InChIKeyXUIHSFHXSFWABM-UHFFFAOYSA-N
MW259.26 g/mol
LogP-1.74
Rot. Bonds7

About 3-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-2-hydroxypropanoic acid

3-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-2-hydroxypropanoic acid (PubChem CID 113481426) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-2-hydroxypropanoic acid
PubChem CID113481426
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name3-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-2-hydroxypropanoic acid
SMILESO=C(NCCNC(=O)C1CC1)NCC(O)C(=O)O
InChIInChI=1S/C10H17N3O5/c14-7(9(16)17)5-13-10(18)12-4-3-11-8(15)6-1-2-6/h6-7,14H,1-5H2,(H,11,15)(H,16,17)(H2,12,13,18)
InChIKeyXUIHSFHXSFWABM-UHFFFAOYSA-N
XLogP-1.74
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-1.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclobutanecarbonylamino)-2-hydroxypropanoic acid
CID 66167867
(2S)-3-[2-(carbamoylamino)ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 107840831
3-[3-(cyclopropylamino)propylcarbamoylamino]-2-hydroxypropanoic acid
CID 66165921
(2S)-3-(3-cyclopentylpropylcarbamoylamino)-2-hydroxypropanoic acid
CID 114136387
(2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]butanedioic acid
CID 104865053
(2S)-4-(cycloheptanecarbonylamino)-2-hydroxybutanoic acid
CID 107834810
N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide
CID 115575200
(2S)-2-hydroxy-3-(3-methylbutylcarbamoylamino)propanoic acid
CID 107837964
2-hydroxy-3-(pent-4-ynylcarbamoylamino)propanoic acid
CID 106222830
(2S)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-4-hydroxybutanoic acid
CID 107829067
2-hydroxy-3-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid
CID 66165318
2-hydroxy-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]butanoic acid
CID 107832364

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-2-hydroxypropanoic acid (CID 113481426) is 3-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-2-hydroxypropanoic acid is O=C(NCCNC(=O)C1CC1)NCC(O)C(=O)O.
What is the InChIKey of 3-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-2-hydroxypropanoic acid?
The InChIKey is XUIHSFHXSFWABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c14-7(9(16)17)5-13-10(18)12-4-3-11-8(15)6-1-2-6/h6-7,14H,1-5H2,(H,11,15)(H,16,17)(H2,12,13,18).
What are the key properties of 3-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-2-hydroxypropanoic acid?
3-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-2-hydroxypropanoic acid has a molecular weight of 259.26 g/mol, XLogP of -1.74, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 113481426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).