(2S)-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]pentanoic acid

C12H22N2O5 — CID 107566626

IUPAC(2S)-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N(C)CC(C)C(=O)OC)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-5-6-9(10(15)16)13-12(18)14(3)7-8(2)11(17)19-4/h8-9H,5-7H2,1-4H3,(H,13,18)(H,15,16)/t8?,9-/m0/s1
InChIKeyDIJLVRPWUXVRGJ-GKAPJAKFSA-N
MW274.32 g/mol
LogP0.69
Rot. Bonds7

About (2S)-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]pentanoic acid

(2S)-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]pentanoic acid (PubChem CID 107566626) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2S)-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]pentanoic acid
PubChem CID107566626
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name(2S)-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N(C)CC(C)C(=O)OC)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-5-6-9(10(15)16)13-12(18)14(3)7-8(2)11(17)19-4/h8-9H,5-7H2,1-4H3,(H,13,18)(H,15,16)/t8?,9-/m0/s1
InChIKeyDIJLVRPWUXVRGJ-GKAPJAKFSA-N
XLogP0.69
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-hydroxy-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid
CID 55005844
(2R)-3-hydroxy-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid
CID 80757790
2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81058135
(2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566916
2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 55226587
(2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 98534737
(2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566302
2-[[butyl(methyl)carbamoyl]amino]pentanoic acid
CID 61184623
2-[[methyl(2-methylbutyl)carbamoyl]amino]hexanoic acid
CID 61198544
4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917206
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid
CID 104553016
(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid
CID 107567559

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]pentanoic acid (CID 107566626) is (2S)-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]pentanoic acid is CCC[C@H](NC(=O)N(C)CC(C)C(=O)OC)C(=O)O.
What is the InChIKey of (2S)-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]pentanoic acid?
The InChIKey is DIJLVRPWUXVRGJ-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-5-6-9(10(15)16)13-12(18)14(3)7-8(2)11(17)19-4/h8-9H,5-7H2,1-4H3,(H,13,18)(H,15,16)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]pentanoic acid?
(2S)-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]pentanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]pentanoic acid is sourced from PubChem (CID 107566626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).