2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-5-methoxypentanoic acid

C12H23N3O5 — CID 106279260

IUPAC2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)NCC(C)(C)C(N)=O)C(=O)O
InChIInChI=1S/C12H23N3O5/c1-12(2,10(13)18)7-14-11(19)15-8(9(16)17)5-4-6-20-3/h8H,4-7H2,1-3H3,(H2,13,18)(H,16,17)(H2,14,15,19)
InChIKeyCCZJEAVOROWFED-UHFFFAOYSA-N
MW289.33 g/mol
LogP-0.32
Rot. Bonds9

About 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-5-methoxypentanoic acid

2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-5-methoxypentanoic acid (PubChem CID 106279260) has the molecular formula C12H23N3O5 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-5-methoxypentanoic acid
PubChem CID106279260
Molecular FormulaC12H23N3O5
Molecular Weight289.33 g/mol
Exact Mass289.16
IUPAC Name2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)NCC(C)(C)C(N)=O)C(=O)O
InChIInChI=1S/C12H23N3O5/c1-12(2,10(13)18)7-14-11(19)15-8(9(16)17)5-4-6-20-3/h8H,4-7H2,1-3H3,(H2,13,18)(H,16,17)(H2,14,15,19)
InChIKeyCCZJEAVOROWFED-UHFFFAOYSA-N
XLogP-0.32
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-4-hydroxybutanoic acid
CID 106279185
5-methoxy-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)pentanoic acid
CID 106295178
(2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid
CID 114167574
5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 81085400
5-methoxy-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
CID 81086247
2-[3-(dimethylamino)propylcarbamoylamino]-5-methoxypentanoic acid
CID 81085258
5-methoxy-2-(2-methylsulfonylethylcarbamoylamino)pentanoic acid
CID 81085605
2-[(2-amino-3-methoxypropanoyl)amino]-5-methoxypentanoic acid
CID 81101732
2-(3-cyclopentylpropylcarbamoylamino)-5-methoxypentanoic acid
CID 106005297
(2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid
CID 107566134
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxypentanoic acid
CID 115432700

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-5-methoxypentanoic acid?
The IUPAC name of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-5-methoxypentanoic acid (CID 106279260) is 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-5-methoxypentanoic acid is COCCCC(NC(=O)NCC(C)(C)C(N)=O)C(=O)O.
What is the InChIKey of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-5-methoxypentanoic acid?
The InChIKey is CCZJEAVOROWFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O5/c1-12(2,10(13)18)7-14-11(19)15-8(9(16)17)5-4-6-20-3/h8H,4-7H2,1-3H3,(H2,13,18)(H,16,17)(H2,14,15,19).
What are the key properties of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-5-methoxypentanoic acid?
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-5-methoxypentanoic acid has a molecular weight of 289.33 g/mol, XLogP of -0.32, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-5-methoxypentanoic acid is sourced from PubChem (CID 106279260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).