(2S)-3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoylamino]-2-hydroxypropanoic acid

C11H21N3O5 — CID 107840915

IUPAC(2S)-3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoylamino]-2-hydroxypropanoic acid
SMILESCCN(CC)C(=O)C(C)NC(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-4-14(5-2)9(16)7(3)13-11(19)12-6-8(15)10(17)18/h7-8,15H,4-6H2,1-3H3,(H,17,18)(H2,12,13,19)/t7?,8-/m0/s1
InChIKeyYASOVAOGOBJRAO-MQWKRIRWSA-N
MW275.30 g/mol
LogP-1.01
Rot. Bonds7

About (2S)-3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoylamino]-2-hydroxypropanoic acid

(2S)-3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoylamino]-2-hydroxypropanoic acid (PubChem CID 107840915) has the molecular formula C11H21N3O5 and a molecular weight of 275.30 g/mol. Its IUPAC name is (2S)-3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoylamino]-2-hydroxypropanoic acid
PubChem CID107840915
Molecular FormulaC11H21N3O5
Molecular Weight275.30 g/mol
Exact Mass275.15
IUPAC Name(2S)-3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoylamino]-2-hydroxypropanoic acid
SMILESCCN(CC)C(=O)C(C)NC(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-4-14(5-2)9(16)7(3)13-11(19)12-6-8(15)10(17)18/h7-8,15H,4-6H2,1-3H3,(H,17,18)(H2,12,13,19)/t7?,8-/m0/s1
InChIKeyYASOVAOGOBJRAO-MQWKRIRWSA-N
XLogP-1.01
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(butan-2-ylcarbamoylamino)-2-hydroxypropanoic acid
CID 66166107
2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid
CID 113408715
(2S)-2-hydroxy-3-(4-methylhexan-2-ylcarbamoylamino)propanoic acid
CID 107840287
3-(3-ethylpentan-2-ylcarbamoylamino)-2-hydroxypropanoic acid
CID 66166964
(2S)-2-hydroxy-3-(3-methylbutylcarbamoylamino)propanoic acid
CID 107837964
(2S)-3-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 107837851
(2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic acid
CID 115408123
methyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate
CID 115590943
2-hydroxy-3-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid
CID 66165318
(2S)-2-hydroxy-3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]propanoic acid
CID 107840060
(2R)-N,N-diethyl-2-[[(2R)-1-methoxypropan-2-yl]carbamoylamino]propanamide
CID 95346439
5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 62964214

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoylamino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoylamino]-2-hydroxypropanoic acid (CID 107840915) is (2S)-3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoylamino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoylamino]-2-hydroxypropanoic acid is CCN(CC)C(=O)C(C)NC(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoylamino]-2-hydroxypropanoic acid?
The InChIKey is YASOVAOGOBJRAO-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-4-14(5-2)9(16)7(3)13-11(19)12-6-8(15)10(17)18/h7-8,15H,4-6H2,1-3H3,(H,17,18)(H2,12,13,19)/t7?,8-/m0/s1.
What are the key properties of (2S)-3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoylamino]-2-hydroxypropanoic acid?
(2S)-3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoylamino]-2-hydroxypropanoic acid has a molecular weight of 275.30 g/mol, XLogP of -1.01, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 107840915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).