(2S)-2-[[3-(dimethylamino)-3-oxopropyl]amino]propanoic acid

C8H16N2O3 — CID 83195023

IUPAC(2S)-2-[[3-(dimethylamino)-3-oxopropyl]amino]propanoic acid
SMILESC[C@H](NCCC(=O)N(C)C)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-6(8(12)13)9-5-4-7(11)10(2)3/h6,9H,4-5H2,1-3H3,(H,12,13)/t6-/m0/s1
InChIKeyZLLRJPMWDPYDBT-LURJTMIESA-N
MW188.23 g/mol
LogP-0.47
Rot. Bonds5

About (2S)-2-[[3-(dimethylamino)-3-oxopropyl]amino]propanoic acid

(2S)-2-[[3-(dimethylamino)-3-oxopropyl]amino]propanoic acid (PubChem CID 83195023) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2S)-2-[[3-(dimethylamino)-3-oxopropyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[3-(dimethylamino)-3-oxopropyl]amino]propanoic acid
PubChem CID83195023
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(2S)-2-[[3-(dimethylamino)-3-oxopropyl]amino]propanoic acid
SMILESC[C@H](NCCC(=O)N(C)C)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-6(8(12)13)9-5-4-7(11)10(2)3/h6,9H,4-5H2,1-3H3,(H,12,13)/t6-/m0/s1
InChIKeyZLLRJPMWDPYDBT-LURJTMIESA-N
XLogP-0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N,N-dimethyl-3-(4,4,4-trifluorobutan-2-ylamino)propanamide
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(2R)-2-(3-methylbutylamino)propanoic acid
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(2S)-2-(2-fluoroethylamino)propanoic acid
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N,N-dimethyl-3-(1-phenylpropan-2-ylamino)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(dimethylamino)-3-oxopropyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[3-(dimethylamino)-3-oxopropyl]amino]propanoic acid (CID 83195023) is (2S)-2-[[3-(dimethylamino)-3-oxopropyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[3-(dimethylamino)-3-oxopropyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[3-(dimethylamino)-3-oxopropyl]amino]propanoic acid is C[C@H](NCCC(=O)N(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[[3-(dimethylamino)-3-oxopropyl]amino]propanoic acid?
The InChIKey is ZLLRJPMWDPYDBT-LURJTMIESA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(8(12)13)9-5-4-7(11)10(2)3/h6,9H,4-5H2,1-3H3,(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-[[3-(dimethylamino)-3-oxopropyl]amino]propanoic acid?
(2S)-2-[[3-(dimethylamino)-3-oxopropyl]amino]propanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(dimethylamino)-3-oxopropyl]amino]propanoic acid is sourced from PubChem (CID 83195023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).