1-[3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]propyl]azetidine-2-carboxylic acid

C12H20N2O7 — CID 4641377

IUPAC1-[3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]propyl]azetidine-2-carboxylic acid
SMILESO=C(O)C(O)CCNC(CCN1CCC1C(=O)O)C(=O)O
InChIInChI=1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyCUZKLRTTYZOCSD-UHFFFAOYSA-N
MW304.30 g/mol
LogP-1.59
Rot. Bonds10

About 1-[3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]propyl]azetidine-2-carboxylic acid

1-[3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]propyl]azetidine-2-carboxylic acid (PubChem CID 4641377) has the molecular formula C12H20N2O7 and a molecular weight of 304.30 g/mol. Its IUPAC name is 1-[3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]propyl]azetidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]propyl]azetidine-2-carboxylic acid
PubChem CID4641377
Molecular FormulaC12H20N2O7
Molecular Weight304.30 g/mol
Exact Mass304.13
IUPAC Name1-[3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]propyl]azetidine-2-carboxylic acid
SMILESO=C(O)C(O)CCNC(CCN1CCC1C(=O)O)C(=O)O
InChIInChI=1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyCUZKLRTTYZOCSD-UHFFFAOYSA-N
XLogP-1.59
TPSA147.40 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 5-1.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

avenic acid A
CID 16070004
2'-Deoxymugineic acid
CID 189811
3''-Deamino-3''-oxonicotianamine
CID 11954188
Isomugineic acid
CID 3085404
Distichonic acid A
CID 85405750
avenic acid B
CID 16070022
3-Epi-3-hydroxymugineate(2-)
CID 25201082
3-Epi-3-hydroxy-2'-deoxymugineate
CID 25202352
2'-Deoxymugineate
CID 45266659
Mugineate(2-)
CID 45266663
Distichonic acid B
CID 131752452
3-Hydroxymugineic acid
CID 194573

Frequently Asked Questions

What is the IUPAC name of 1-[3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]propyl]azetidine-2-carboxylic acid?
The IUPAC name of 1-[3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]propyl]azetidine-2-carboxylic acid (CID 4641377) is 1-[3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]propyl]azetidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]propyl]azetidine-2-carboxylic acid?
The canonical SMILES for 1-[3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]propyl]azetidine-2-carboxylic acid is O=C(O)C(O)CCNC(CCN1CCC1C(=O)O)C(=O)O.
What is the InChIKey of 1-[3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]propyl]azetidine-2-carboxylic acid?
The InChIKey is CUZKLRTTYZOCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 1-[3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]propyl]azetidine-2-carboxylic acid?
1-[3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]propyl]azetidine-2-carboxylic acid has a molecular weight of 304.30 g/mol, XLogP of -1.59, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]propyl]azetidine-2-carboxylic acid is sourced from PubChem (CID 4641377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).