(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide

C11H22N4O3 — CID 5496519

IUPAC(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
SMILESCCNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N
InChIInChI=1S/C11H22N4O3/c1-5-13-10(17)7(3)15-11(18)8(4)14-9(16)6(2)12/h6-8H,5,12H2,1-4H3,(H,13,17)(H,14,16)(H,15,18)/t6-,7-,8-/m0/s1
InChIKeyTYIVESPAFTXHDJ-FXQIFTODSA-N
MW258.32 g/mol
LogP-1.52
Rot. Bonds6

About (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide

(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide (PubChem CID 5496519) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
PubChem CID5496519
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
SMILESCCNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N
InChIInChI=1S/C11H22N4O3/c1-5-13-10(17)7(3)15-11(18)8(4)14-9(16)6(2)12/h6-8H,5,12H2,1-4H3,(H,13,17)(H,14,16)(H,15,18)/t6-,7-,8-/m0/s1
InChIKeyTYIVESPAFTXHDJ-FXQIFTODSA-N
XLogP-1.52
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide (CID 5496519) is (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide is CCNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide?
The InChIKey is TYIVESPAFTXHDJ-FXQIFTODSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-5-13-10(17)7(3)15-11(18)8(4)14-9(16)6(2)12/h6-8H,5,12H2,1-4H3,(H,13,17)(H,14,16)(H,15,18)/t6-,7-,8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide?
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide has a molecular weight of 258.32 g/mol, XLogP of -1.52, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 5496519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).