(2R)-1-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]pyrrolidine-2-carboxylic acid

C13H23N3O4 — CID 107223995

IUPAC(2R)-1-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)N1CCCN(CCO)CC1
InChIInChI=1S/C13H23N3O4/c17-10-9-14-4-2-5-15(8-7-14)13(20)16-6-1-3-11(16)12(18)19/h11,17H,1-10H2,(H,18,19)/t11-/m1/s1
InChIKeyUITLQWCDNKAHQO-LLVKDONJSA-N
MW285.34 g/mol
LogP-0.34
Rot. Bonds3

About (2R)-1-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]pyrrolidine-2-carboxylic acid

(2R)-1-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 107223995) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2R)-1-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID107223995
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name(2R)-1-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)N1CCCN(CCO)CC1
InChIInChI=1S/C13H23N3O4/c17-10-9-14-4-2-5-15(8-7-14)13(20)16-6-1-3-11(16)12(18)19/h11,17H,1-10H2,(H,18,19)/t11-/m1/s1
InChIKeyUITLQWCDNKAHQO-LLVKDONJSA-N
XLogP-0.34
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]azepane-2-carboxylic acid
CID 64562334
(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 28509820
1-(pyrrolidine-1-carbonyl)azocane-2-carboxylic acid
CID 114239747
(2R)-1-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 55150786
2-[1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61370200
(3S)-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid
CID 81125571
2-[4-(2-carbamoylpyrrolidine-1-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 62824831
1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63627584
1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61405416
cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308401
1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187506
[4-(2-hydroxyethyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79160343

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]pyrrolidine-2-carboxylic acid (CID 107223995) is (2R)-1-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)N1CCCN(CCO)CC1.
What is the InChIKey of (2R)-1-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is UITLQWCDNKAHQO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N3O4/c17-10-9-14-4-2-5-15(8-7-14)13(20)16-6-1-3-11(16)12(18)19/h11,17H,1-10H2,(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-1-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107223995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).