(2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid

C12H25N3O4 — CID 107839519

IUPAC(2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid
SMILESCCCN(CCN(C)C)C(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C12H25N3O4/c1-4-7-15(9-8-14(2)3)12(19)13-6-5-10(16)11(17)18/h10,16H,4-9H2,1-3H3,(H,13,19)(H,17,18)/t10-/m0/s1
InChIKeyGHQFFYJYUSGWOK-JTQLQIEISA-N
MW275.35 g/mol
LogP-0.19
Rot. Bonds9

About (2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid

(2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid (PubChem CID 107839519) has the molecular formula C12H25N3O4 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid
PubChem CID107839519
Molecular FormulaC12H25N3O4
Molecular Weight275.35 g/mol
Exact Mass275.18
IUPAC Name(2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid
SMILESCCCN(CCN(C)C)C(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C12H25N3O4/c1-4-7-15(9-8-14(2)3)12(19)13-6-5-10(16)11(17)18/h10,16H,4-9H2,1-3H3,(H,13,19)(H,17,18)/t10-/m0/s1
InChIKeyGHQFFYJYUSGWOK-JTQLQIEISA-N
XLogP-0.19
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66165725
(2S)-4-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839988
(2S)-2-hydroxy-4-[[prop-2-enyl(propyl)carbamoyl]amino]butanoic acid
CID 107840714
(2S)-4-[[cyclopropylmethyl(propyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838868
2-[[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]methyl]butanoic acid
CID 65221488
4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838885
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838341
3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62670484
4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
CID 104936189
4-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839223
4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839151
(2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 114005579

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid (CID 107839519) is (2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid is CCCN(CCN(C)C)C(=O)NCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid?
The InChIKey is GHQFFYJYUSGWOK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H25N3O4/c1-4-7-15(9-8-14(2)3)12(19)13-6-5-10(16)11(17)18/h10,16H,4-9H2,1-3H3,(H,13,19)(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid?
(2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid has a molecular weight of 275.35 g/mol, XLogP of -0.19, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107839519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).