(2S)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid

C11H21N3O4 — CID 54946846

IUPAC(2S)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
SMILESCCN(CC)C(=O)CN(C)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-5-14(6-2)9(15)7-13(4)11(18)12-8(3)10(16)17/h8H,5-7H2,1-4H3,(H,12,18)(H,16,17)/t8-/m0/s1
InChIKeyDTRBBWZLXYYBEB-QMMMGPOBSA-N
MW259.31 g/mol
LogP-0.03
Rot. Bonds6

About (2S)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid

(2S)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid (PubChem CID 54946846) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2S)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
PubChem CID54946846
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name(2S)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
SMILESCCN(CC)C(=O)CN(C)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-5-14(6-2)9(15)7-13(4)11(18)12-8(3)10(16)17/h8H,5-7H2,1-4H3,(H,12,18)(H,16,17)/t8-/m0/s1
InChIKeyDTRBBWZLXYYBEB-QMMMGPOBSA-N
XLogP-0.03
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
CID 78972686
(2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid
CID 61194675
(2R)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107826744
(2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid
CID 78973916
3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66167159
(2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid
CID 104861849
(2S)-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 78971244
3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]-propan-2-ylamino]propanoic acid
CID 61455997
(2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 61196762
(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid
CID 104553103
2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]propanoic acid
CID 102995511
(2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 80757079

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid (CID 54946846) is (2S)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid is CCN(CC)C(=O)CN(C)C(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid?
The InChIKey is DTRBBWZLXYYBEB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-5-14(6-2)9(15)7-13(4)11(18)12-8(3)10(16)17/h8H,5-7H2,1-4H3,(H,12,18)(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid?
(2S)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 54946846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).