2-[[2-[(3-propoxybenzoyl)amino]acetyl]amino]acetic acid

C14H18N2O5 — CID 62919842

IUPAC2-[[2-[(3-propoxybenzoyl)amino]acetyl]amino]acetic acid
SMILESCCCOc1cccc(C(=O)NCC(=O)NCC(=O)O)c1
InChIInChI=1S/C14H18N2O5/c1-2-6-21-11-5-3-4-10(7-11)14(20)16-8-12(17)15-9-13(18)19/h3-5,7H,2,6,8-9H2,1H3,(H,15,17)(H,16,20)(H,18,19)
InChIKeyPIDKLWAXVIMSKR-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.41
Rot. Bonds8

About 2-[[2-[(3-propoxybenzoyl)amino]acetyl]amino]acetic acid

2-[[2-[(3-propoxybenzoyl)amino]acetyl]amino]acetic acid (PubChem CID 62919842) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[[2-[(3-propoxybenzoyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(3-propoxybenzoyl)amino]acetyl]amino]acetic acid
PubChem CID62919842
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[[2-[(3-propoxybenzoyl)amino]acetyl]amino]acetic acid
SMILESCCCOc1cccc(C(=O)NCC(=O)NCC(=O)O)c1
InChIInChI=1S/C14H18N2O5/c1-2-6-21-11-5-3-4-10(7-11)14(20)16-8-12(17)15-9-13(18)19/h3-5,7H,2,6,8-9H2,1H3,(H,15,17)(H,16,20)(H,18,19)
InChIKeyPIDKLWAXVIMSKR-UHFFFAOYSA-N
XLogP0.41
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-(2-methylprop-2-enyl)-3-propoxybenzamide
CID 114618945
2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid
CID 62919115
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
3-hydroxy-3-methyl-4-[(3-propoxybenzoyl)amino]butanoic acid
CID 66001127
N-[2-(ethylamino)ethyl]-3-propoxybenzamide
CID 62919691
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 2988749
N-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide
CID 65112128
N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide
CID 111102702
N-pent-3-ynyl-3-propoxybenzamide
CID 115977193
N-(3-chlorobutyl)-3-propoxybenzamide
CID 114301736

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-propoxybenzoyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(3-propoxybenzoyl)amino]acetyl]amino]acetic acid (CID 62919842) is 2-[[2-[(3-propoxybenzoyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(3-propoxybenzoyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(3-propoxybenzoyl)amino]acetyl]amino]acetic acid is CCCOc1cccc(C(=O)NCC(=O)NCC(=O)O)c1.
What is the InChIKey of 2-[[2-[(3-propoxybenzoyl)amino]acetyl]amino]acetic acid?
The InChIKey is PIDKLWAXVIMSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-2-6-21-11-5-3-4-10(7-11)14(20)16-8-12(17)15-9-13(18)19/h3-5,7H,2,6,8-9H2,1H3,(H,15,17)(H,16,20)(H,18,19).
What are the key properties of 2-[[2-[(3-propoxybenzoyl)amino]acetyl]amino]acetic acid?
2-[[2-[(3-propoxybenzoyl)amino]acetyl]amino]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 0.41, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-propoxybenzoyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 62919842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).