(2S,4R)-1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid

C11H19N3O4 — CID 55260941

IUPAC(2S,4R)-1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNCC1CCN(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)C1
InChIInChI=1S/C11H19N3O4/c12-4-7-1-2-13(5-7)11(18)14-6-8(15)3-9(14)10(16)17/h7-9,15H,1-6,12H2,(H,16,17)/t7?,8-,9+/m1/s1
InChIKeyNBZTXANTWNFGPN-ASODMVGOSA-N
MW257.29 g/mol
LogP-1.09
Rot. Bonds2

About (2S,4R)-1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 55260941) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2S,4R)-1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID55260941
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name(2S,4R)-1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNCC1CCN(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)C1
InChIInChI=1S/C11H19N3O4/c12-4-7-1-2-13(5-7)11(18)14-6-8(15)3-9(14)10(16)17/h7-9,15H,1-6,12H2,(H,16,17)/t7?,8-,9+/m1/s1
InChIKeyNBZTXANTWNFGPN-ASODMVGOSA-N
XLogP-1.09
TPSA107.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 55030907
(2S,4S)-4-hydroxy-1-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64714272
(2R,4R)-1-(4-carbamoylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000013
(2S,4S)-1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714131
1-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61442853
(2S,4R)-1-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842181
(2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55260359
(2R,4R)-1-[4-(dimethylamino)piperidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999818
(2S,4R)-1-[4-(dimethylamino)piperidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844233
(2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 103500463
(2R,4R)-1-(3-carbamoylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999597
(2R,4R)-1-(4-tert-butylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000506

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 55260941) is (2S,4R)-1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid is NCC1CCN(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)C1.
What is the InChIKey of (2S,4R)-1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is NBZTXANTWNFGPN-ASODMVGOSA-N. The full InChI is InChI=1S/C11H19N3O4/c12-4-7-1-2-13(5-7)11(18)14-6-8(15)3-9(14)10(16)17/h7-9,15H,1-6,12H2,(H,16,17)/t7?,8-,9+/m1/s1.
What are the key properties of (2S,4R)-1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of -1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55260941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).