(2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid

C11H23N3O3 — CID 107566847

IUPAC(2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NCCN(C)CC)C(=O)O
InChIInChI=1S/C11H23N3O3/c1-4-6-9(10(15)16)13-11(17)12-7-8-14(3)5-2/h9H,4-8H2,1-3H3,(H,15,16)(H2,12,13,17)/t9-/m0/s1
InChIKeyJAZFMFNQMVGFSK-VIFPVBQESA-N
MW245.32 g/mol
LogP0.49
Rot. Bonds8

About (2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid

(2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid (PubChem CID 107566847) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is (2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid
PubChem CID107566847
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name(2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NCCN(C)CC)C(=O)O
InChIInChI=1S/C11H23N3O3/c1-4-6-9(10(15)16)13-11(17)12-7-8-14(3)5-2/h9H,4-8H2,1-3H3,(H,15,16)(H2,12,13,17)/t9-/m0/s1
InChIKeyJAZFMFNQMVGFSK-VIFPVBQESA-N
XLogP0.49
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-hydroxybutanoic acid
CID 107827546
(2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107827547
(2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
CID 62635321
(2S)-2-[2-[butan-2-yl(methyl)amino]ethylcarbamoylamino]pentanoic acid
CID 114134201
(2S)-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]pentanoic acid
CID 107565891
2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]pentanoic acid
CID 61180979
(2R)-2-[4-(dimethylamino)butylcarbamoylamino]pentanoic acid
CID 107566736
(2S)-2-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
CID 107566702
(2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid
CID 107566228
2-(2-propylsulfonylethylcarbamoylamino)pentanoic acid
CID 106722812
(2S)-2-(3,3-dimethylbutylcarbamoylamino)pentanoic acid
CID 94208084
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]urea
CID 115595346

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid?
The IUPAC name of (2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid (CID 107566847) is (2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid is CCC[C@H](NC(=O)NCCN(C)CC)C(=O)O.
What is the InChIKey of (2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid?
The InChIKey is JAZFMFNQMVGFSK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23N3O3/c1-4-6-9(10(15)16)13-11(17)12-7-8-14(3)5-2/h9H,4-8H2,1-3H3,(H,15,16)(H2,12,13,17)/t9-/m0/s1.
What are the key properties of (2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid?
(2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid has a molecular weight of 245.32 g/mol, XLogP of 0.49, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 107566847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).