(2S)-4-methyl-2-[methyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]pentanoic acid

C16H23N3O3 — CID 154746894

IUPAC(2S)-4-methyl-2-[methyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N(C)C(=O)C1CCc2ncncc2C1
InChIInChI=1S/C16H23N3O3/c1-10(2)6-14(16(21)22)19(3)15(20)11-4-5-13-12(7-11)8-17-9-18-13/h8-11,14H,4-7H2,1-3H3,(H,21,22)/t11?,14-/m0/s1
InChIKeyGKFPGKKCCXJPRL-IAXJKZSUSA-N
MW305.38 g/mol
LogP1.54
Rot. Bonds5

About (2S)-4-methyl-2-[methyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]pentanoic acid

(2S)-4-methyl-2-[methyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]pentanoic acid (PubChem CID 154746894) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S)-4-methyl-2-[methyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[methyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]pentanoic acid
PubChem CID154746894
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(2S)-4-methyl-2-[methyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N(C)C(=O)C1CCc2ncncc2C1
InChIInChI=1S/C16H23N3O3/c1-10(2)6-14(16(21)22)19(3)15(20)11-4-5-13-12(7-11)8-17-9-18-13/h8-11,14H,4-7H2,1-3H3,(H,21,22)/t11?,14-/m0/s1
InChIKeyGKFPGKKCCXJPRL-IAXJKZSUSA-N
XLogP1.54
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-4-methyl-2-[methyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

2-[benzyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]propanoic acid
CID 167930327
5,6,7,8-tetrahydroquinazoline-7-carboxylic acid
CID 83816750
2-(3-methylbutyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81423558
6-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 170260134
2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81423489
(1S,6R)-2-(5,6,7,8-tetrahydroquinazoline-6-carbonyl)-2-azabicyclo[4.1.0]heptane-1-carboxylic acid
CID 154867341
2-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 66686629
2-butan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81423692
4-methyl-2-[methyl-(6-methylpyrimidine-4-carbonyl)amino]pentanoic acid
CID 110836313
N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)propan-1-amine
CID 81425753
N-(1H-indol-5-ylmethyl)-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 166395927
7-propan-2-yl-5,6,7,8-tetrahydroquinazoline
CID 153295607

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[methyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[methyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]pentanoic acid (CID 154746894) is (2S)-4-methyl-2-[methyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[methyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[methyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]pentanoic acid is CC(C)C[C@@H](C(=O)O)N(C)C(=O)C1CCc2ncncc2C1.
What is the InChIKey of (2S)-4-methyl-2-[methyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]pentanoic acid?
The InChIKey is GKFPGKKCCXJPRL-IAXJKZSUSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10(2)6-14(16(21)22)19(3)15(20)11-4-5-13-12(7-11)8-17-9-18-13/h8-11,14H,4-7H2,1-3H3,(H,21,22)/t11?,14-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[methyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]pentanoic acid?
(2S)-4-methyl-2-[methyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]pentanoic acid has a molecular weight of 305.38 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[methyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 154746894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).