5-(carbamoylamino)-2-(2-methylprop-2-enoylamino)pentanoic acid

C10H17N3O4 — CID 18798175

IUPAC5-(carbamoylamino)-2-(2-methylprop-2-enoylamino)pentanoic acid
SMILESC=C(C)C(=O)NC(CCCNC(N)=O)C(=O)O
InChIInChI=1S/C10H17N3O4/c1-6(2)8(14)13-7(9(15)16)4-3-5-12-10(11)17/h7H,1,3-5H2,2H3,(H,13,14)(H,15,16)(H3,11,12,17)
InChIKeyGRWCWFYROBWLGX-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.42
Rot. Bonds7

About 5-(carbamoylamino)-2-(2-methylprop-2-enoylamino)pentanoic acid

5-(carbamoylamino)-2-(2-methylprop-2-enoylamino)pentanoic acid (PubChem CID 18798175) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-(carbamoylamino)-2-(2-methylprop-2-enoylamino)pentanoic acid.

Molecular Properties

Compound Name5-(carbamoylamino)-2-(2-methylprop-2-enoylamino)pentanoic acid
PubChem CID18798175
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name5-(carbamoylamino)-2-(2-methylprop-2-enoylamino)pentanoic acid
SMILESC=C(C)C(=O)NC(CCCNC(N)=O)C(=O)O
InChIInChI=1S/C10H17N3O4/c1-6(2)8(14)13-7(9(15)16)4-3-5-12-10(11)17/h7H,1,3-5H2,2H3,(H,13,14)(H,15,16)(H3,11,12,17)
InChIKeyGRWCWFYROBWLGX-UHFFFAOYSA-N
XLogP-0.42
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(carbamoylamino)-2-(2-methylprop-2-enoylamino)pentanoic acid?
The IUPAC name of 5-(carbamoylamino)-2-(2-methylprop-2-enoylamino)pentanoic acid (CID 18798175) is 5-(carbamoylamino)-2-(2-methylprop-2-enoylamino)pentanoic acid.
What is the SMILES notation for 5-(carbamoylamino)-2-(2-methylprop-2-enoylamino)pentanoic acid?
The canonical SMILES for 5-(carbamoylamino)-2-(2-methylprop-2-enoylamino)pentanoic acid is C=C(C)C(=O)NC(CCCNC(N)=O)C(=O)O.
What is the InChIKey of 5-(carbamoylamino)-2-(2-methylprop-2-enoylamino)pentanoic acid?
The InChIKey is GRWCWFYROBWLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-6(2)8(14)13-7(9(15)16)4-3-5-12-10(11)17/h7H,1,3-5H2,2H3,(H,13,14)(H,15,16)(H3,11,12,17).
What are the key properties of 5-(carbamoylamino)-2-(2-methylprop-2-enoylamino)pentanoic acid?
5-(carbamoylamino)-2-(2-methylprop-2-enoylamino)pentanoic acid has a molecular weight of 243.26 g/mol, XLogP of -0.42, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbamoylamino)-2-(2-methylprop-2-enoylamino)pentanoic acid is sourced from PubChem (CID 18798175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).