(2S)-4-methyl-2-[[2-[(1-propylpyrazole-4-carbonyl)amino]acetyl]amino]pentanoic acid

C15H24N4O4 — CID 120695177

IUPAC(2S)-4-methyl-2-[[2-[(1-propylpyrazole-4-carbonyl)amino]acetyl]amino]pentanoic acid
SMILESCCCn1cc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)cn1
InChIInChI=1S/C15H24N4O4/c1-4-5-19-9-11(7-17-19)14(21)16-8-13(20)18-12(15(22)23)6-10(2)3/h7,9-10,12H,4-6,8H2,1-3H3,(H,16,21)(H,18,20)(H,22,23)/t12-/m0/s1
InChIKeyMKUYTUBNNGEJNX-LBPRGKRZSA-N
MW324.38 g/mol
LogP0.64
Rot. Bonds9

About (2S)-4-methyl-2-[[2-[(1-propylpyrazole-4-carbonyl)amino]acetyl]amino]pentanoic acid

(2S)-4-methyl-2-[[2-[(1-propylpyrazole-4-carbonyl)amino]acetyl]amino]pentanoic acid (PubChem CID 120695177) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[2-[(1-propylpyrazole-4-carbonyl)amino]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[2-[(1-propylpyrazole-4-carbonyl)amino]acetyl]amino]pentanoic acid
PubChem CID120695177
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Name(2S)-4-methyl-2-[[2-[(1-propylpyrazole-4-carbonyl)amino]acetyl]amino]pentanoic acid
SMILESCCCn1cc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)cn1
InChIInChI=1S/C15H24N4O4/c1-4-5-19-9-11(7-17-19)14(21)16-8-13(20)18-12(15(22)23)6-10(2)3/h7,9-10,12H,4-6,8H2,1-3H3,(H,16,21)(H,18,20)(H,22,23)/t12-/m0/s1
InChIKeyMKUYTUBNNGEJNX-LBPRGKRZSA-N
XLogP0.64
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-4-methyl-2-[[2-[(1-propylpyrazole-4-carbonyl)amino]acetyl]amino]pentanoic acid with MolForge

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Related Compounds

(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 28742395
(2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120694502
(2S)-2-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695696
(2S)-2-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 119361792
(2S)-4-methyl-2-[[2-(thiadiazole-5-carbonylamino)acetyl]amino]pentanoic acid
CID 120695799
(2S)-4-methyl-2-[[2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120694902
(2S)-2-[[2-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120694679
(2S)-2-[[2-[(4-ethylthiadiazole-5-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120694717
(2S)-4-methyl-2-[[2-(propylamino)acetyl]amino]pentanoic acid
CID 78976964
(2S)-2-[[2-[[4-(methoxymethyl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694973
(2S)-4-methyl-2-[[2-[(3-pyrrol-1-ylbenzoyl)amino]acetyl]amino]pentanoic acid
CID 120694912
(2S)-2-[[2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695148

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[2-[(1-propylpyrazole-4-carbonyl)amino]acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[2-[(1-propylpyrazole-4-carbonyl)amino]acetyl]amino]pentanoic acid (CID 120695177) is (2S)-4-methyl-2-[[2-[(1-propylpyrazole-4-carbonyl)amino]acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[2-[(1-propylpyrazole-4-carbonyl)amino]acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[2-[(1-propylpyrazole-4-carbonyl)amino]acetyl]amino]pentanoic acid is CCCn1cc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)cn1.
What is the InChIKey of (2S)-4-methyl-2-[[2-[(1-propylpyrazole-4-carbonyl)amino]acetyl]amino]pentanoic acid?
The InChIKey is MKUYTUBNNGEJNX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-4-5-19-9-11(7-17-19)14(21)16-8-13(20)18-12(15(22)23)6-10(2)3/h7,9-10,12H,4-6,8H2,1-3H3,(H,16,21)(H,18,20)(H,22,23)/t12-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[2-[(1-propylpyrazole-4-carbonyl)amino]acetyl]amino]pentanoic acid?
(2S)-4-methyl-2-[[2-[(1-propylpyrazole-4-carbonyl)amino]acetyl]amino]pentanoic acid has a molecular weight of 324.38 g/mol, XLogP of 0.64, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[2-[(1-propylpyrazole-4-carbonyl)amino]acetyl]amino]pentanoic acid is sourced from PubChem (CID 120695177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).