(3S)-5-methyl-3-[[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]methyl]hexanoic acid

C14H25N3O4 — CID 106258173

IUPAC(3S)-5-methyl-3-[[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]methyl]hexanoic acid
SMILESCC(C)C[C@H](CNC(=O)NC1CCN(C)C1=O)CC(=O)O
InChIInChI=1S/C14H25N3O4/c1-9(2)6-10(7-12(18)19)8-15-14(21)16-11-4-5-17(3)13(11)20/h9-11H,4-8H2,1-3H3,(H,18,19)(H2,15,16,21)/t10-,11?/m0/s1
InChIKeyKGXCUBHFWMJDRD-VUWPPUDQSA-N
MW299.37 g/mol
LogP0.65
Rot. Bonds7

About (3S)-5-methyl-3-[[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]methyl]hexanoic acid

(3S)-5-methyl-3-[[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]methyl]hexanoic acid (PubChem CID 106258173) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is (3S)-5-methyl-3-[[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]methyl]hexanoic acid.

Molecular Properties

Compound Name(3S)-5-methyl-3-[[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]methyl]hexanoic acid
PubChem CID106258173
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name(3S)-5-methyl-3-[[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]methyl]hexanoic acid
SMILESCC(C)C[C@H](CNC(=O)NC1CCN(C)C1=O)CC(=O)O
InChIInChI=1S/C14H25N3O4/c1-9(2)6-10(7-12(18)19)8-15-14(21)16-11-4-5-17(3)13(11)20/h9-11H,4-8H2,1-3H3,(H,18,19)(H2,15,16,21)/t10-,11?/m0/s1
InChIKeyKGXCUBHFWMJDRD-VUWPPUDQSA-N
XLogP0.65
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3S)-5-methyl-3-[[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]methyl]hexanoic acid with MolForge

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Related Compounds

3-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106258155
(2R)-2-amino-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pentanamide
CID 106255828
6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 106258009
3-[ethyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]butanoic acid
CID 106257764
3-hydroxy-3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 106257873
(2S)-3-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 114165149
(3S)-5-methyl-3-[[(2-methylcyclopentanecarbonyl)amino]methyl]hexanoic acid
CID 107175625
N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-4-methylpentan-2-yl]oxypropanamide
CID 97051425
5-methyl-3-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]hexanoic acid
CID 80715313
(3S)-5-methyl-3-[[(2-methylcyclopropanecarbonyl)amino]methyl]hexanoic acid
CID 65492659
N-(1-methyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
CID 119782040
(3S)-5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid
CID 65493069

Frequently Asked Questions

What is the IUPAC name of (3S)-5-methyl-3-[[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]methyl]hexanoic acid?
The IUPAC name of (3S)-5-methyl-3-[[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]methyl]hexanoic acid (CID 106258173) is (3S)-5-methyl-3-[[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]methyl]hexanoic acid.
What is the SMILES notation for (3S)-5-methyl-3-[[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]methyl]hexanoic acid?
The canonical SMILES for (3S)-5-methyl-3-[[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]methyl]hexanoic acid is CC(C)C[C@H](CNC(=O)NC1CCN(C)C1=O)CC(=O)O.
What is the InChIKey of (3S)-5-methyl-3-[[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]methyl]hexanoic acid?
The InChIKey is KGXCUBHFWMJDRD-VUWPPUDQSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-9(2)6-10(7-12(18)19)8-15-14(21)16-11-4-5-17(3)13(11)20/h9-11H,4-8H2,1-3H3,(H,18,19)(H2,15,16,21)/t10-,11?/m0/s1.
What are the key properties of (3S)-5-methyl-3-[[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]methyl]hexanoic acid?
(3S)-5-methyl-3-[[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]methyl]hexanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methyl-3-[[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]methyl]hexanoic acid is sourced from PubChem (CID 106258173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).