(2R)-5-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid

C12H18N4O4S — CID 107830779

IUPAC(2R)-5-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
SMILESCc1nc(CN(C)C(=O)N[C@H](CCC(N)=O)C(=O)O)cs1
InChIInChI=1S/C12H18N4O4S/c1-7-14-8(6-21-7)5-16(2)12(20)15-9(11(18)19)3-4-10(13)17/h6,9H,3-5H2,1-2H3,(H2,13,17)(H,15,20)(H,18,19)/t9-/m1/s1
InChIKeyWEKVTOCLBOOGJU-SECBINFHSA-N
MW314.37 g/mol
LogP0.31
Rot. Bonds7

About (2R)-5-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid

(2R)-5-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid (PubChem CID 107830779) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is (2R)-5-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
PubChem CID107830779
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name(2R)-5-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
SMILESCc1nc(CN(C)C(=O)N[C@H](CCC(N)=O)C(=O)O)cs1
InChIInChI=1S/C12H18N4O4S/c1-7-14-8(6-21-7)5-16(2)12(20)15-9(11(18)19)3-4-10(13)17/h6,9H,3-5H2,1-2H3,(H2,13,17)(H,15,20)(H,18,19)/t9-/m1/s1
InChIKeyWEKVTOCLBOOGJU-SECBINFHSA-N
XLogP0.31
TPSA125.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-5-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid with MolForge

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Related Compounds

(2R)-4-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid
CID 107827210
(2R)-5-amino-2-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
CID 107830936
(2S)-5-amino-2-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
CID 61197904
(2R)-5-amino-2-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]-5-oxopentanoic acid
CID 107829849
2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-N-propylpropanamide
CID 47455504
(2R)-5-amino-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830585
2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 43630580
5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 63699583
(2S)-5-amino-2-[[methyl(pentyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61197974
(2R)-5-amino-2-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107831129
2-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]pentanoic acid
CID 54984478
2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]pentanoic acid
CID 43631009

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid (CID 107830779) is (2R)-5-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid is Cc1nc(CN(C)C(=O)N[C@H](CCC(N)=O)C(=O)O)cs1.
What is the InChIKey of (2R)-5-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is WEKVTOCLBOOGJU-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-7-14-8(6-21-7)5-16(2)12(20)15-9(11(18)19)3-4-10(13)17/h6,9H,3-5H2,1-2H3,(H2,13,17)(H,15,20)(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-5-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 314.37 g/mol, XLogP of 0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 107830779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).