2-(carbamoylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpentanamide

C13H25N3O4 — CID 107330119

IUPAC2-(carbamoylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)NCC1(O)CCOC1C
InChIInChI=1S/C13H25N3O4/c1-4-8(2)10(16-12(14)18)11(17)15-7-13(19)5-6-20-9(13)3/h8-10,19H,4-7H2,1-3H3,(H,15,17)(H3,14,16,18)
InChIKeyKMOGFYDXDIIIIG-UHFFFAOYSA-N
MW287.36 g/mol
LogP-0.27
Rot. Bonds6

About 2-(carbamoylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpentanamide

2-(carbamoylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpentanamide (PubChem CID 107330119) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpentanamide
PubChem CID107330119
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name2-(carbamoylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)NCC1(O)CCOC1C
InChIInChI=1S/C13H25N3O4/c1-4-8(2)10(16-12(14)18)11(17)15-7-13(19)5-6-20-9(13)3/h8-10,19H,4-7H2,1-3H3,(H,15,17)(H3,14,16,18)
InChIKeyKMOGFYDXDIIIIG-UHFFFAOYSA-N
XLogP-0.27
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 106101609
2-(carbamoylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-methylpentanamide
CID 65120019
N-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide
CID 84873517
2-(carbamoylamino)-3-methyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide
CID 78957691
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide
CID 107302161
1-[[[2-(carbamoylamino)-3-methylpentanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445099
6-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylheptanamide
CID 106101679
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide
CID 106101086
3-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pentanamide
CID 106101613
3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide
CID 114143597
(2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide
CID 95262479

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpentanamide?
The IUPAC name of 2-(carbamoylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpentanamide (CID 107330119) is 2-(carbamoylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpentanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpentanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpentanamide is CCC(C)C(NC(N)=O)C(=O)NCC1(O)CCOC1C.
What is the InChIKey of 2-(carbamoylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpentanamide?
The InChIKey is KMOGFYDXDIIIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-4-8(2)10(16-12(14)18)11(17)15-7-13(19)5-6-20-9(13)3/h8-10,19H,4-7H2,1-3H3,(H,15,17)(H3,14,16,18).
What are the key properties of 2-(carbamoylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpentanamide?
2-(carbamoylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpentanamide has a molecular weight of 287.36 g/mol, XLogP of -0.27, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpentanamide is sourced from PubChem (CID 107330119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).