(2R)-N'-(1-adamantyl)-2-[[(2S)-2-aminopropanoyl]amino]pentanediamide

C18H30N4O3 — CID 6917830

IUPAC(2R)-N'-(1-adamantyl)-2-[[(2S)-2-aminopropanoyl]amino]pentanediamide
SMILESC[C@H](N)C(=O)N[C@H](CCC(=O)NC12CC3CC(CC(C3)C1)C2)C(N)=O
InChIInChI=1S/C18H30N4O3/c1-10(19)17(25)21-14(16(20)24)2-3-15(23)22-18-7-11-4-12(8-18)6-13(5-11)9-18/h10-14H,2-9,19H2,1H3,(H2,20,24)(H,21,25)(H,22,23)/t10-,11?,12?,13?,14+,18?/m0/s1
InChIKeyMXWDHKDTQAPDQD-WZDKYTMSSA-N
MW350.46 g/mol
LogP0.17
Rot. Bonds7

About (2R)-N'-(1-adamantyl)-2-[[(2S)-2-aminopropanoyl]amino]pentanediamide

(2R)-N'-(1-adamantyl)-2-[[(2S)-2-aminopropanoyl]amino]pentanediamide (PubChem CID 6917830) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is (2R)-N'-(1-adamantyl)-2-[[(2S)-2-aminopropanoyl]amino]pentanediamide.

Molecular Properties

Compound Name(2R)-N'-(1-adamantyl)-2-[[(2S)-2-aminopropanoyl]amino]pentanediamide
PubChem CID6917830
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name(2R)-N'-(1-adamantyl)-2-[[(2S)-2-aminopropanoyl]amino]pentanediamide
SMILESC[C@H](N)C(=O)N[C@H](CCC(=O)NC12CC3CC(CC(C3)C1)C2)C(N)=O
InChIInChI=1S/C18H30N4O3/c1-10(19)17(25)21-14(16(20)24)2-3-15(23)22-18-7-11-4-12(8-18)6-13(5-11)9-18/h10-14H,2-9,19H2,1H3,(H2,20,24)(H,21,25)(H,22,23)/t10-,11?,12?,13?,14+,18?/m0/s1
InChIKeyMXWDHKDTQAPDQD-WZDKYTMSSA-N
XLogP0.17
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N'-(1-adamantyl)-2-[[(2S)-2-aminopropanoyl]amino]pentanediamide?
The IUPAC name of (2R)-N'-(1-adamantyl)-2-[[(2S)-2-aminopropanoyl]amino]pentanediamide (CID 6917830) is (2R)-N'-(1-adamantyl)-2-[[(2S)-2-aminopropanoyl]amino]pentanediamide.
What is the SMILES notation for (2R)-N'-(1-adamantyl)-2-[[(2S)-2-aminopropanoyl]amino]pentanediamide?
The canonical SMILES for (2R)-N'-(1-adamantyl)-2-[[(2S)-2-aminopropanoyl]amino]pentanediamide is C[C@H](N)C(=O)N[C@H](CCC(=O)NC12CC3CC(CC(C3)C1)C2)C(N)=O.
What is the InChIKey of (2R)-N'-(1-adamantyl)-2-[[(2S)-2-aminopropanoyl]amino]pentanediamide?
The InChIKey is MXWDHKDTQAPDQD-WZDKYTMSSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-10(19)17(25)21-14(16(20)24)2-3-15(23)22-18-7-11-4-12(8-18)6-13(5-11)9-18/h10-14H,2-9,19H2,1H3,(H2,20,24)(H,21,25)(H,22,23)/t10-,11?,12?,13?,14+,18?/m0/s1.
What are the key properties of (2R)-N'-(1-adamantyl)-2-[[(2S)-2-aminopropanoyl]amino]pentanediamide?
(2R)-N'-(1-adamantyl)-2-[[(2S)-2-aminopropanoyl]amino]pentanediamide has a molecular weight of 350.46 g/mol, XLogP of 0.17, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-(1-adamantyl)-2-[[(2S)-2-aminopropanoyl]amino]pentanediamide is sourced from PubChem (CID 6917830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).