(2S)-2-[[2-[[4-(methoxymethyl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid

C17H24N2O5 — CID 120694973

IUPAC(2S)-2-[[2-[[4-(methoxymethyl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid
SMILESCOCc1ccc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)cc1
InChIInChI=1S/C17H24N2O5/c1-11(2)8-14(17(22)23)19-15(20)9-18-16(21)13-6-4-12(5-7-13)10-24-3/h4-7,11,14H,8-10H2,1-3H3,(H,18,21)(H,19,20)(H,22,23)/t14-/m0/s1
InChIKeyJAJYEACDSYEXSR-AWEZNQCLSA-N
MW336.39 g/mol
LogP1.18
Rot. Bonds9

About (2S)-2-[[2-[[4-(methoxymethyl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid

(2S)-2-[[2-[[4-(methoxymethyl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid (PubChem CID 120694973) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2S)-2-[[2-[[4-(methoxymethyl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[[4-(methoxymethyl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid
PubChem CID120694973
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name(2S)-2-[[2-[[4-(methoxymethyl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid
SMILESCOCc1ccc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)cc1
InChIInChI=1S/C17H24N2O5/c1-11(2)8-14(17(22)23)19-15(20)9-18-16(21)13-6-4-12(5-7-13)10-24-3/h4-7,11,14H,8-10H2,1-3H3,(H,18,21)(H,19,20)(H,22,23)/t14-/m0/s1
InChIKeyJAJYEACDSYEXSR-AWEZNQCLSA-N
XLogP1.18
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[2-[[4-(methoxymethyl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

(2S)-2-[[2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695148
(2S)-2-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695696
(2S)-2-[[2-[(4-chloro-3-methoxybenzoyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120694598
(2S)-4-methyl-2-[[2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]acetyl]amino]pentanoic acid
CID 120695655
(2S)-3-hydroxy-2-[[4-(methoxymethyl)benzoyl]amino]propanoic acid
CID 61152053
(2S)-4-methyl-2-[[2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120694902
(2S)-2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 54193828
(2S)-2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid
CID 971688
N-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide
CID 61245639
4-(methoxymethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 51175467
3-hydroxy-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid
CID 43238754
2-[[1-carboxy-2-[4-(propan-2-ylcarbamoyl)phenyl]ethyl]amino]-4-methylpentanoic acid
CID 23573035

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[[4-(methoxymethyl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[[2-[[4-(methoxymethyl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid (CID 120694973) is (2S)-2-[[2-[[4-(methoxymethyl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[[2-[[4-(methoxymethyl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[[2-[[4-(methoxymethyl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid is COCc1ccc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)cc1.
What is the InChIKey of (2S)-2-[[2-[[4-(methoxymethyl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid?
The InChIKey is JAJYEACDSYEXSR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-11(2)8-14(17(22)23)19-15(20)9-18-16(21)13-6-4-12(5-7-13)10-24-3/h4-7,11,14H,8-10H2,1-3H3,(H,18,21)(H,19,20)(H,22,23)/t14-/m0/s1.
What are the key properties of (2S)-2-[[2-[[4-(methoxymethyl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid?
(2S)-2-[[2-[[4-(methoxymethyl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid has a molecular weight of 336.39 g/mol, XLogP of 1.18, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[[4-(methoxymethyl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 120694973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).