(2R,4S)-2-amino-4-piperidin-1-ylpentanedioic acid

C10H18N2O4 — CID 23631709

IUPAC(2R,4S)-2-amino-4-piperidin-1-ylpentanedioic acid
SMILESN[C@H](C[C@@H](C(=O)O)N1CCCCC1)C(=O)O
InChIInChI=1S/C10H18N2O4/c11-7(9(13)14)6-8(10(15)16)12-4-2-1-3-5-12/h7-8H,1-6,11H2,(H,13,14)(H,15,16)/t7-,8+/m1/s1
InChIKeyYIKWBGMEIPZPAQ-SFYZADRCSA-N
MW230.26 g/mol
LogP-0.27
Rot. Bonds5

About (2R,4S)-2-amino-4-piperidin-1-ylpentanedioic acid

(2R,4S)-2-amino-4-piperidin-1-ylpentanedioic acid (PubChem CID 23631709) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2R,4S)-2-amino-4-piperidin-1-ylpentanedioic acid.

Molecular Properties

Compound Name(2R,4S)-2-amino-4-piperidin-1-ylpentanedioic acid
PubChem CID23631709
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2R,4S)-2-amino-4-piperidin-1-ylpentanedioic acid
SMILESN[C@H](C[C@@H](C(=O)O)N1CCCCC1)C(=O)O
InChIInChI=1S/C10H18N2O4/c11-7(9(13)14)6-8(10(15)16)12-4-2-1-3-5-12/h7-8H,1-6,11H2,(H,13,14)(H,15,16)/t7-,8+/m1/s1
InChIKeyYIKWBGMEIPZPAQ-SFYZADRCSA-N
XLogP-0.27
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide
CID 70074809
2-(azocan-1-yl)butanoic acid
CID 43808973
(2S)-2,5-diamino-5-piperidin-1-ylpentanoic acid
CID 142469236
2-(azepan-1-yl)pentanoic acid
CID 43866463
(2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid
CID 67330383
2-pyrrolidin-1-ylhex-4-ynoic acid
CID 142014835
2-[4,7-bis(1-carboxy-3-hydroxypropyl)-1,4,7-triazacycloundec-1-yl]-4-hydroxybutanoic acid
CID 140600194
3-amino-2-piperidin-1-ylbutanoic acid
CID 67056291
4-methoxy-4-methyl-2-pyrrolidin-1-ylpentanoic acid
CID 106676158
2-piperidin-1-ylheptanoic acid
CID 43803843
2,2-bis(azepan-1-yl)acetic acid
CID 68690871
5-methylsulfanyl-2-piperidin-1-ylpentanoic acid
CID 103090125

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-amino-4-piperidin-1-ylpentanedioic acid?
The IUPAC name of (2R,4S)-2-amino-4-piperidin-1-ylpentanedioic acid (CID 23631709) is (2R,4S)-2-amino-4-piperidin-1-ylpentanedioic acid.
What is the SMILES notation for (2R,4S)-2-amino-4-piperidin-1-ylpentanedioic acid?
The canonical SMILES for (2R,4S)-2-amino-4-piperidin-1-ylpentanedioic acid is N[C@H](C[C@@H](C(=O)O)N1CCCCC1)C(=O)O.
What is the InChIKey of (2R,4S)-2-amino-4-piperidin-1-ylpentanedioic acid?
The InChIKey is YIKWBGMEIPZPAQ-SFYZADRCSA-N. The full InChI is InChI=1S/C10H18N2O4/c11-7(9(13)14)6-8(10(15)16)12-4-2-1-3-5-12/h7-8H,1-6,11H2,(H,13,14)(H,15,16)/t7-,8+/m1/s1.
What are the key properties of (2R,4S)-2-amino-4-piperidin-1-ylpentanedioic acid?
(2R,4S)-2-amino-4-piperidin-1-ylpentanedioic acid has a molecular weight of 230.26 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-amino-4-piperidin-1-ylpentanedioic acid is sourced from PubChem (CID 23631709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).