(2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid

C9H17N3O4 — CID 78972686

IUPAC(2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)N(C)CC(=O)N(C)C)C(=O)O
InChIInChI=1S/C9H17N3O4/c1-6(8(14)15)10-9(16)12(4)5-7(13)11(2)3/h6H,5H2,1-4H3,(H,10,16)(H,14,15)/t6-/m1/s1
InChIKeyKIVDLNOXCKNINR-ZCFIWIBFSA-N
MW231.25 g/mol
LogP-0.81
Rot. Bonds4

About (2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid

(2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid (PubChem CID 78972686) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
PubChem CID78972686
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name(2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)N(C)CC(=O)N(C)C)C(=O)O
InChIInChI=1S/C9H17N3O4/c1-6(8(14)15)10-9(16)12(4)5-7(13)11(2)3/h6H,5H2,1-4H3,(H,10,16)(H,14,15)/t6-/m1/s1
InChIKeyKIVDLNOXCKNINR-ZCFIWIBFSA-N
XLogP-0.81
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
CID 54946846
(2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 80757079
(2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid
CID 78973916
(2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid
CID 61194675
(2S)-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 78971244
2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid
CID 43445725
(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid
CID 104553103
(2S)-2-[[3-(dimethylamino)-3-oxopropyl]amino]propanoic acid
CID 83195023
2-[[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]butanoic acid
CID 65223458
5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 82687737
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60854503
2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 63209066

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid (CID 78972686) is (2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid is C[C@@H](NC(=O)N(C)CC(=O)N(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid?
The InChIKey is KIVDLNOXCKNINR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-6(8(14)15)10-9(16)12(4)5-7(13)11(2)3/h6H,5H2,1-4H3,(H,10,16)(H,14,15)/t6-/m1/s1.
What are the key properties of (2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid?
(2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid has a molecular weight of 231.25 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 78972686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).