(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid

C12H24N2O4 — CID 54947939

IUPAC(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCN(CCOC)C(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-5-14(6-7-18-4)12(17)13-10(11(15)16)8-9(2)3/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)/t10-/m0/s1
InChIKeyQRPODPLUIFFNOW-JTQLQIEISA-N
MW260.33 g/mol
LogP1.16
Rot. Bonds8

About (2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid

(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid (PubChem CID 54947939) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is (2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid
PubChem CID54947939
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCN(CCOC)C(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-5-14(6-7-18-4)12(17)13-10(11(15)16)8-9(2)3/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)/t10-/m0/s1
InChIKeyQRPODPLUIFFNOW-JTQLQIEISA-N
XLogP1.16
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 61447549
(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976504
2-[[butyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61185864
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63305117
(2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976291
3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 81086313
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 54948450
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755955
(2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 80756983
2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61437733
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid (CID 54947939) is (2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid is CCN(CCOC)C(=O)N[C@@H](CC(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is QRPODPLUIFFNOW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O4/c1-5-14(6-7-18-4)12(17)13-10(11(15)16)8-9(2)3/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid?
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 54947939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).