(2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid

C11H22N2O4 — CID 107566916

IUPAC(2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N(C)CCCOC)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-6-9(10(14)15)12-11(16)13(2)7-5-8-17-3/h9H,4-8H2,1-3H3,(H,12,16)(H,14,15)/t9-/m1/s1
InChIKeyBANKSHNLABHDFM-SECBINFHSA-N
MW246.31 g/mol
LogP0.92
Rot. Bonds8

About (2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid

(2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid (PubChem CID 107566916) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid
PubChem CID107566916
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name(2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N(C)CCCOC)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-6-9(10(14)15)12-11(16)13(2)7-5-8-17-3/h9H,4-8H2,1-3H3,(H,12,16)(H,14,15)/t9-/m1/s1
InChIKeyBANKSHNLABHDFM-SECBINFHSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid
CID 81085427
2-[[butyl(methyl)carbamoyl]amino]pentanoic acid
CID 61184623
(2S)-3-hydroxy-2-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 62996884
5-methoxy-2-[[methyl-[3-(methylamino)propyl]carbamoyl]amino]pentanoic acid
CID 81081490
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
(2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566302
(2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 98534737
2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 55226587
2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81058135
(2R)-2-[[butyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005321
2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid
CID 81085623
3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
CID 81086301

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid (CID 107566916) is (2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid is CCC[C@@H](NC(=O)N(C)CCCOC)C(=O)O.
What is the InChIKey of (2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid?
The InChIKey is BANKSHNLABHDFM-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-4-6-9(10(14)15)12-11(16)13(2)7-5-8-17-3/h9H,4-8H2,1-3H3,(H,12,16)(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid?
(2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 107566916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).